USER MOD reduce.3.24.130724 H: found=0, std=0, add=702, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 691 hydrogens (18 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 52 ASNHD21 : A 52 ASN ND2 : A1052 NAG C1 :(H bumps) USER MOD NoAdj-H: A 78 ASNHD21 : A 78 ASN ND2 : A1078 NAG C1 :(H bumps) USER MOD Set 1.1: A 50 GLN : amide:sc= -0.107 K(o=-0.097,f=-1.2!) USER MOD Set 1.2: A1052 NAG O6 : rot 180:sc= 0.0109 USER MOD Set 2.1: A 13 GLN : amide:sc= -7.78! C(o=-7.8!,f=-3.8!) USER MOD Set 2.2: A 29 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 ALA N :NH3+ -107:sc= 0.0782 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= -0.298 K(o=-0.3,f=-2.8!) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0.707 USER MOD Single : A 15 ASN : amide:sc= -17.5! C(o=-17!,f=-16!) USER MOD Single : A 19 SER OG : rot -85:sc= 1.07 USER MOD Single : A 20 GLN : amide:sc= -0.408 X(o=-0.41,f=-0.16) USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0.116 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ -165:sc= -0.0123 (180deg=-0.151) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 111:sc= -0.64 USER MOD Single : A 47 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot -160:sc= -1.39 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= -1.94! C(o=-1.9!,f=-6.3!) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 MET CE :methyl -123:sc= -0.251 (180deg=-3.42!) USER MOD Single : A 75 LYS NZ :NH3+ 150:sc= 0 (180deg=-1.1) USER MOD Single : A 79 HIS : no HD1:sc= -19.9! C(o=-20!,f=-19!) USER MOD Single : A 80 THR OG1 : rot -46:sc= -3.03! USER MOD Single : A 83 HIS : no HD1:sc= -2.08 K(o=-2.1,f=-0.43) USER MOD Single : A 85 SER OG : rot 84:sc= 1.19 USER MOD Single : A 86 THR OG1 : rot -7:sc= -1.84 USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A1052 NAG O3 : rot -3:sc= -0.35! USER MOD Single : A1052 NAG O4 : rot 160:sc= 0 USER MOD Single : A1078 NAG O3 : rot 180:sc= 0 USER MOD Single : A1078 NAG O4 : rot 160:sc= 0 USER MOD Single : A1078 NAG O6 : rot 30:sc= 0.00314 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -4.885 20.532 -6.933 1.00 0.00 N ATOM 2 CA ALA A 1 -4.917 19.364 -6.015 1.00 0.00 C ATOM 3 C ALA A 1 -3.513 18.980 -5.563 1.00 0.00 C ATOM 4 O ALA A 1 -2.520 19.369 -6.179 1.00 0.00 O ATOM 5 CB ALA A 1 -5.591 18.180 -6.690 1.00 0.00 C ATOM 0 H1 ALA A 1 -5.241 21.374 -6.436 1.00 0.00 H new ATOM 0 H2 ALA A 1 -3.908 20.702 -7.245 1.00 0.00 H new ATOM 0 H3 ALA A 1 -5.484 20.339 -7.761 1.00 0.00 H new ATOM 0 HA ALA A 1 -5.492 19.646 -5.133 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -5.607 17.332 -6.006 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -6.612 18.448 -6.960 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -5.037 17.910 -7.589 1.00 0.00 H new ATOM 13 N PRO A 2 -3.419 18.199 -4.478 1.00 0.00 N ATOM 14 CA PRO A 2 -2.141 17.745 -3.932 1.00 0.00 C ATOM 15 C PRO A 2 -1.140 17.368 -5.020 1.00 0.00 C ATOM 16 O PRO A 2 -1.477 16.664 -5.972 1.00 0.00 O ATOM 17 CB PRO A 2 -2.547 16.518 -3.121 1.00 0.00 C ATOM 18 CG PRO A 2 -3.917 16.842 -2.629 1.00 0.00 C ATOM 19 CD PRO A 2 -4.562 17.687 -3.699 1.00 0.00 C ATOM 0 HA PRO A 2 -1.636 18.518 -3.353 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -2.547 15.617 -3.735 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -1.859 16.341 -2.295 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -4.492 15.933 -2.452 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -3.873 17.380 -1.682 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -5.238 17.099 -4.320 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -5.149 18.499 -3.269 1.00 0.00 H new ATOM 27 N ASP A 3 0.091 17.843 -4.869 1.00 0.00 N ATOM 28 CA ASP A 3 1.147 17.560 -5.834 1.00 0.00 C ATOM 29 C ASP A 3 1.087 16.110 -6.300 1.00 0.00 C ATOM 30 O ASP A 3 0.689 15.826 -7.430 1.00 0.00 O ATOM 31 CB ASP A 3 2.517 17.851 -5.216 1.00 0.00 C ATOM 32 CG ASP A 3 3.638 17.103 -5.912 1.00 0.00 C ATOM 33 OD1 ASP A 3 3.586 16.979 -7.154 1.00 0.00 O ATOM 34 OD2 ASP A 3 4.564 16.640 -5.216 1.00 0.00 O ATOM 0 H ASP A 3 0.383 18.427 -4.086 1.00 0.00 H new ATOM 0 HA ASP A 3 0.997 18.206 -6.699 1.00 0.00 H new ATOM 0 HB2 ASP A 3 2.714 18.922 -5.265 1.00 0.00 H new ATOM 0 HB3 ASP A 3 2.502 17.577 -4.161 1.00 0.00 H new ATOM 39 N VAL A 4 1.492 15.198 -5.422 1.00 0.00 N ATOM 40 CA VAL A 4 1.494 13.775 -5.737 1.00 0.00 C ATOM 41 C VAL A 4 2.814 13.359 -6.375 1.00 0.00 C ATOM 42 O VAL A 4 3.406 14.116 -7.145 1.00 0.00 O ATOM 43 CB VAL A 4 0.345 13.402 -6.693 1.00 0.00 C ATOM 44 CG1 VAL A 4 0.211 11.892 -6.800 1.00 0.00 C ATOM 45 CG2 VAL A 4 -0.962 14.032 -6.236 1.00 0.00 C ATOM 0 H VAL A 4 1.824 15.421 -4.484 1.00 0.00 H new ATOM 0 HA VAL A 4 1.358 13.246 -4.794 1.00 0.00 H new ATOM 0 HB VAL A 4 0.579 13.794 -7.683 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -0.605 11.646 -7.479 1.00 0.00 H new ATOM 0 HG12 VAL A 4 1.141 11.470 -7.182 1.00 0.00 H new ATOM 0 HG13 VAL A 4 0.002 11.475 -5.815 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -1.760 13.756 -6.925 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -1.207 13.676 -5.235 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -0.857 15.117 -6.219 1.00 0.00 H new ATOM 55 N GLN A 5 3.268 12.152 -6.056 1.00 0.00 N ATOM 56 CA GLN A 5 4.515 11.640 -6.608 1.00 0.00 C ATOM 57 C GLN A 5 5.040 10.463 -5.791 1.00 0.00 C ATOM 58 O GLN A 5 5.737 10.647 -4.793 1.00 0.00 O ATOM 59 CB GLN A 5 5.569 12.749 -6.664 1.00 0.00 C ATOM 60 CG GLN A 5 5.601 13.627 -5.423 1.00 0.00 C ATOM 61 CD GLN A 5 7.011 13.885 -4.931 1.00 0.00 C ATOM 62 OE1 GLN A 5 7.986 13.467 -5.556 1.00 0.00 O ATOM 63 NE2 GLN A 5 7.126 14.581 -3.806 1.00 0.00 N ATOM 0 H GLN A 5 2.792 11.512 -5.420 1.00 0.00 H new ATOM 0 HA GLN A 5 4.312 11.289 -7.620 1.00 0.00 H new ATOM 0 HB2 GLN A 5 6.551 12.297 -6.804 1.00 0.00 H new ATOM 0 HB3 GLN A 5 5.379 13.375 -7.536 1.00 0.00 H new ATOM 0 HG2 GLN A 5 5.116 14.578 -5.642 1.00 0.00 H new ATOM 0 HG3 GLN A 5 5.024 13.151 -4.630 1.00 0.00 H new ATOM 0 HE21 GLN A 5 6.290 14.908 -3.321 1.00 0.00 H new ATOM 0 HE22 GLN A 5 8.050 14.789 -3.427 1.00 0.00 H new ATOM 72 N ASP A 6 4.707 9.253 -6.231 1.00 0.00 N ATOM 73 CA ASP A 6 5.150 8.040 -5.553 1.00 0.00 C ATOM 74 C ASP A 6 4.294 7.737 -4.326 1.00 0.00 C ATOM 75 O ASP A 6 4.651 8.101 -3.207 1.00 0.00 O ATOM 76 CB ASP A 6 6.617 8.172 -5.140 1.00 0.00 C ATOM 77 CG ASP A 6 7.379 6.871 -5.296 1.00 0.00 C ATOM 78 OD1 ASP A 6 6.768 5.875 -5.737 1.00 0.00 O ATOM 79 OD2 ASP A 6 8.586 6.847 -4.978 1.00 0.00 O ATOM 0 H ASP A 6 4.131 9.087 -7.056 1.00 0.00 H new ATOM 0 HA ASP A 6 5.041 7.212 -6.254 1.00 0.00 H new ATOM 0 HB2 ASP A 6 7.094 8.944 -5.744 1.00 0.00 H new ATOM 0 HB3 ASP A 6 6.672 8.500 -4.102 1.00 0.00 H new ATOM 84 N CYS A 7 3.172 7.056 -4.544 1.00 0.00 N ATOM 85 CA CYS A 7 2.272 6.690 -3.454 1.00 0.00 C ATOM 86 C CYS A 7 1.917 7.901 -2.595 1.00 0.00 C ATOM 87 O CYS A 7 2.787 8.516 -1.978 1.00 0.00 O ATOM 88 CB CYS A 7 2.912 5.606 -2.586 1.00 0.00 C ATOM 89 SG CYS A 7 2.434 3.909 -3.046 1.00 0.00 S ATOM 0 H CYS A 7 2.864 6.746 -5.466 1.00 0.00 H new ATOM 0 HA CYS A 7 1.352 6.306 -3.894 1.00 0.00 H new ATOM 0 HB2 CYS A 7 3.996 5.697 -2.650 1.00 0.00 H new ATOM 0 HB3 CYS A 7 2.639 5.780 -1.545 1.00 0.00 H new ATOM 94 N PRO A 8 0.624 8.254 -2.543 1.00 0.00 N ATOM 95 CA PRO A 8 0.140 9.384 -1.766 1.00 0.00 C ATOM 96 C PRO A 8 -0.254 8.992 -0.344 1.00 0.00 C ATOM 97 O PRO A 8 -1.328 9.357 0.133 1.00 0.00 O ATOM 98 CB PRO A 8 -1.084 9.832 -2.561 1.00 0.00 C ATOM 99 CG PRO A 8 -1.590 8.599 -3.248 1.00 0.00 C ATOM 100 CD PRO A 8 -0.473 7.577 -3.244 1.00 0.00 C ATOM 0 HA PRO A 8 0.898 10.156 -1.637 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -1.844 10.255 -1.905 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -0.821 10.604 -3.284 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -2.468 8.208 -2.734 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -1.895 8.828 -4.269 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -0.770 6.662 -2.731 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -0.186 7.295 -4.257 1.00 0.00 H new ATOM 108 N GLU A 9 0.625 8.251 0.327 1.00 0.00 N ATOM 109 CA GLU A 9 0.376 7.811 1.698 1.00 0.00 C ATOM 110 C GLU A 9 -0.589 6.630 1.736 1.00 0.00 C ATOM 111 O GLU A 9 -1.517 6.546 0.932 1.00 0.00 O ATOM 112 CB GLU A 9 -0.180 8.965 2.536 1.00 0.00 C ATOM 113 CG GLU A 9 -0.383 8.611 4.000 1.00 0.00 C ATOM 114 CD GLU A 9 -1.787 8.119 4.289 1.00 0.00 C ATOM 115 OE1 GLU A 9 -2.656 8.249 3.401 1.00 0.00 O ATOM 116 OE2 GLU A 9 -2.019 7.607 5.403 1.00 0.00 O ATOM 0 H GLU A 9 1.518 7.942 -0.057 1.00 0.00 H new ATOM 0 HA GLU A 9 1.327 7.487 2.120 1.00 0.00 H new ATOM 0 HB2 GLU A 9 0.500 9.814 2.467 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -1.132 9.285 2.113 1.00 0.00 H new ATOM 0 HG2 GLU A 9 0.334 7.842 4.287 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -0.175 9.487 4.614 1.00 0.00 H new ATOM 123 N CYS A 10 -0.364 5.721 2.682 1.00 0.00 N ATOM 124 CA CYS A 10 -1.213 4.545 2.832 1.00 0.00 C ATOM 125 C CYS A 10 -2.623 4.945 3.247 1.00 0.00 C ATOM 126 O CYS A 10 -2.815 5.632 4.250 1.00 0.00 O ATOM 127 CB CYS A 10 -0.623 3.586 3.868 1.00 0.00 C ATOM 128 SG CYS A 10 -1.461 1.968 3.942 1.00 0.00 S ATOM 0 H CYS A 10 0.400 5.778 3.356 1.00 0.00 H new ATOM 0 HA CYS A 10 -1.261 4.041 1.867 1.00 0.00 H new ATOM 0 HB2 CYS A 10 0.432 3.428 3.642 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -0.672 4.054 4.851 1.00 0.00 H new ATOM 133 N THR A 11 -3.606 4.515 2.467 1.00 0.00 N ATOM 134 CA THR A 11 -4.999 4.829 2.748 1.00 0.00 C ATOM 135 C THR A 11 -5.908 4.096 1.791 1.00 0.00 C ATOM 136 O THR A 11 -5.537 3.069 1.229 1.00 0.00 O ATOM 137 CB THR A 11 -5.249 6.324 2.601 1.00 0.00 C ATOM 138 OG1 THR A 11 -6.525 6.672 3.113 1.00 0.00 O ATOM 139 CG2 THR A 11 -5.188 6.787 1.157 1.00 0.00 C ATOM 0 H THR A 11 -3.463 3.946 1.633 1.00 0.00 H new ATOM 0 HA THR A 11 -5.211 4.518 3.771 1.00 0.00 H new ATOM 0 HB THR A 11 -4.456 6.816 3.164 1.00 0.00 H new ATOM 0 HG1 THR A 11 -6.666 7.636 3.011 1.00 0.00 H new ATOM 0 HG21 THR A 11 -5.373 7.860 1.111 1.00 0.00 H new ATOM 0 HG22 THR A 11 -4.201 6.571 0.747 1.00 0.00 H new ATOM 0 HG23 THR A 11 -5.945 6.263 0.574 1.00 0.00 H new ATOM 147 N LEU A 12 -7.095 4.654 1.594 1.00 0.00 N ATOM 148 CA LEU A 12 -8.074 4.083 0.687 1.00 0.00 C ATOM 149 C LEU A 12 -8.509 5.117 -0.333 1.00 0.00 C ATOM 150 O LEU A 12 -8.663 6.294 -0.010 1.00 0.00 O ATOM 151 CB LEU A 12 -9.293 3.589 1.456 1.00 0.00 C ATOM 152 CG LEU A 12 -9.092 2.289 2.229 1.00 0.00 C ATOM 153 CD1 LEU A 12 -7.680 2.206 2.783 1.00 0.00 C ATOM 154 CD2 LEU A 12 -10.108 2.192 3.351 1.00 0.00 C ATOM 0 H LEU A 12 -7.402 5.510 2.056 1.00 0.00 H new ATOM 0 HA LEU A 12 -7.611 3.240 0.174 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -9.600 4.366 2.157 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -10.115 3.451 0.753 1.00 0.00 H new ATOM 0 HG LEU A 12 -9.238 1.452 1.547 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -7.558 1.271 3.331 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -6.964 2.241 1.962 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -7.503 3.046 3.455 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -9.958 1.261 3.898 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -9.983 3.036 4.029 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -11.114 2.209 2.933 1.00 0.00 H new ATOM 166 N GLN A 13 -8.720 4.677 -1.562 1.00 0.00 N ATOM 167 CA GLN A 13 -9.156 5.592 -2.607 1.00 0.00 C ATOM 168 C GLN A 13 -10.597 5.367 -2.964 1.00 0.00 C ATOM 169 O GLN A 13 -10.931 5.010 -4.092 1.00 0.00 O ATOM 170 CB GLN A 13 -8.324 5.484 -3.858 1.00 0.00 C ATOM 171 CG GLN A 13 -7.953 4.063 -4.241 1.00 0.00 C ATOM 172 CD GLN A 13 -6.652 3.996 -5.010 1.00 0.00 C ATOM 173 OE1 GLN A 13 -6.561 4.456 -6.149 1.00 0.00 O ATOM 174 NE2 GLN A 13 -5.637 3.422 -4.385 1.00 0.00 N ATOM 0 H GLN A 13 -8.599 3.709 -1.859 1.00 0.00 H new ATOM 0 HA GLN A 13 -9.029 6.593 -2.194 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -8.870 5.940 -4.684 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -7.410 6.062 -3.723 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -7.871 3.456 -3.339 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -8.752 3.632 -4.844 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -5.761 3.055 -3.441 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -4.731 3.346 -4.847 1.00 0.00 H new ATOM 183 N GLU A 14 -11.427 5.581 -1.978 1.00 0.00 N ATOM 184 CA GLU A 14 -12.868 5.417 -2.114 1.00 0.00 C ATOM 185 C GLU A 14 -13.248 5.067 -3.536 1.00 0.00 C ATOM 186 O GLU A 14 -12.962 5.802 -4.482 1.00 0.00 O ATOM 187 CB GLU A 14 -13.617 6.670 -1.688 1.00 0.00 C ATOM 188 CG GLU A 14 -15.072 6.408 -1.329 1.00 0.00 C ATOM 189 CD GLU A 14 -15.977 7.578 -1.663 1.00 0.00 C ATOM 190 OE1 GLU A 14 -16.035 7.966 -2.849 1.00 0.00 O ATOM 191 OE2 GLU A 14 -16.631 8.105 -0.738 1.00 0.00 O ATOM 0 H GLU A 14 -11.130 5.876 -1.048 1.00 0.00 H new ATOM 0 HA GLU A 14 -13.154 4.597 -1.455 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -13.112 7.113 -0.829 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -13.575 7.402 -2.495 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -15.419 5.522 -1.861 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -15.145 6.190 -0.264 1.00 0.00 H new ATOM 198 N ASN A 15 -13.893 3.938 -3.662 1.00 0.00 N ATOM 199 CA ASN A 15 -14.334 3.434 -4.946 1.00 0.00 C ATOM 200 C ASN A 15 -15.070 4.503 -5.743 1.00 0.00 C ATOM 201 O ASN A 15 -16.097 5.019 -5.303 1.00 0.00 O ATOM 202 CB ASN A 15 -15.236 2.237 -4.735 1.00 0.00 C ATOM 203 CG ASN A 15 -14.890 1.086 -5.646 1.00 0.00 C ATOM 204 OD1 ASN A 15 -14.099 1.226 -6.579 1.00 0.00 O ATOM 205 ND2 ASN A 15 -15.489 -0.061 -5.378 1.00 0.00 N ATOM 0 H ASN A 15 -14.131 3.334 -2.875 1.00 0.00 H new ATOM 0 HA ASN A 15 -13.454 3.140 -5.517 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -15.164 1.910 -3.698 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -16.272 2.532 -4.905 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -15.303 -0.881 -5.956 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -16.137 -0.127 -4.593 1.00 0.00 H new ATOM 212 N PRO A 16 -14.559 4.844 -6.935 1.00 0.00 N ATOM 213 CA PRO A 16 -15.181 5.845 -7.797 1.00 0.00 C ATOM 214 C PRO A 16 -16.353 5.266 -8.579 1.00 0.00 C ATOM 215 O PRO A 16 -16.790 5.830 -9.581 1.00 0.00 O ATOM 216 CB PRO A 16 -14.045 6.233 -8.738 1.00 0.00 C ATOM 217 CG PRO A 16 -13.239 4.986 -8.869 1.00 0.00 C ATOM 218 CD PRO A 16 -13.340 4.275 -7.541 1.00 0.00 C ATOM 0 HA PRO A 16 -15.596 6.684 -7.239 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -14.424 6.566 -9.704 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -13.451 7.051 -8.330 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -13.620 4.360 -9.675 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -12.201 5.217 -9.108 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -13.422 3.196 -7.669 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -12.462 4.456 -6.921 1.00 0.00 H new ATOM 226 N PHE A 17 -16.853 4.132 -8.104 1.00 0.00 N ATOM 227 CA PHE A 17 -17.976 3.453 -8.733 1.00 0.00 C ATOM 228 C PHE A 17 -19.069 3.200 -7.710 1.00 0.00 C ATOM 229 O PHE A 17 -20.220 3.601 -7.887 1.00 0.00 O ATOM 230 CB PHE A 17 -17.524 2.115 -9.317 1.00 0.00 C ATOM 231 CG PHE A 17 -18.648 1.322 -9.917 1.00 0.00 C ATOM 232 CD1 PHE A 17 -19.014 1.505 -11.239 1.00 0.00 C ATOM 233 CD2 PHE A 17 -19.342 0.398 -9.154 1.00 0.00 C ATOM 234 CE1 PHE A 17 -20.053 0.780 -11.792 1.00 0.00 C ATOM 235 CE2 PHE A 17 -20.383 -0.330 -9.699 1.00 0.00 C ATOM 236 CZ PHE A 17 -20.739 -0.139 -11.020 1.00 0.00 C ATOM 0 H PHE A 17 -16.492 3.660 -7.275 1.00 0.00 H new ATOM 0 HA PHE A 17 -18.359 4.088 -9.532 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -16.768 2.296 -10.081 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -17.050 1.525 -8.533 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -18.482 2.223 -11.846 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -19.067 0.244 -8.121 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -20.328 0.931 -12.825 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -20.917 -1.047 -9.093 1.00 0.00 H new ATOM 0 HZ PHE A 17 -21.552 -0.707 -11.449 1.00 0.00 H new ATOM 246 N PHE A 18 -18.684 2.527 -6.637 1.00 0.00 N ATOM 247 CA PHE A 18 -19.602 2.199 -5.559 1.00 0.00 C ATOM 248 C PHE A 18 -19.901 3.434 -4.721 1.00 0.00 C ATOM 249 O PHE A 18 -20.945 3.524 -4.074 1.00 0.00 O ATOM 250 CB PHE A 18 -18.994 1.110 -4.678 1.00 0.00 C ATOM 251 CG PHE A 18 -19.983 0.079 -4.222 1.00 0.00 C ATOM 252 CD1 PHE A 18 -21.219 0.464 -3.740 1.00 0.00 C ATOM 253 CD2 PHE A 18 -19.675 -1.271 -4.273 1.00 0.00 C ATOM 254 CE1 PHE A 18 -22.138 -0.478 -3.315 1.00 0.00 C ATOM 255 CE2 PHE A 18 -20.588 -2.220 -3.849 1.00 0.00 C ATOM 256 CZ PHE A 18 -21.821 -1.822 -3.370 1.00 0.00 C ATOM 0 H PHE A 18 -17.731 2.194 -6.490 1.00 0.00 H new ATOM 0 HA PHE A 18 -20.535 1.836 -5.991 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -18.194 0.615 -5.229 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -18.539 1.575 -3.804 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -21.471 1.513 -3.695 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -18.712 -1.586 -4.648 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -23.101 -0.164 -2.941 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -20.337 -3.270 -3.892 1.00 0.00 H new ATOM 0 HZ PHE A 18 -22.536 -2.560 -3.039 1.00 0.00 H new ATOM 266 N SER A 19 -18.971 4.380 -4.736 1.00 0.00 N ATOM 267 CA SER A 19 -19.119 5.614 -3.976 1.00 0.00 C ATOM 268 C SER A 19 -20.494 6.234 -4.189 1.00 0.00 C ATOM 269 O SER A 19 -20.760 6.841 -5.226 1.00 0.00 O ATOM 270 CB SER A 19 -18.035 6.612 -4.372 1.00 0.00 C ATOM 271 OG SER A 19 -17.835 6.619 -5.775 1.00 0.00 O ATOM 0 H SER A 19 -18.103 4.316 -5.268 1.00 0.00 H new ATOM 0 HA SER A 19 -19.015 5.368 -2.919 1.00 0.00 H new ATOM 0 HB2 SER A 19 -18.316 7.610 -4.037 1.00 0.00 H new ATOM 0 HB3 SER A 19 -17.102 6.358 -3.870 1.00 0.00 H new ATOM 0 HG SER A 19 -17.210 5.905 -6.020 1.00 0.00 H new ATOM 277 N GLN A 20 -21.361 6.080 -3.197 1.00 0.00 N ATOM 278 CA GLN A 20 -22.712 6.629 -3.273 1.00 0.00 C ATOM 279 C GLN A 20 -23.181 7.128 -1.910 1.00 0.00 C ATOM 280 O GLN A 20 -22.599 6.788 -0.881 1.00 0.00 O ATOM 281 CB GLN A 20 -23.687 5.573 -3.796 1.00 0.00 C ATOM 282 CG GLN A 20 -23.346 5.063 -5.185 1.00 0.00 C ATOM 283 CD GLN A 20 -24.500 5.209 -6.158 1.00 0.00 C ATOM 284 OE1 GLN A 20 -24.798 4.294 -6.926 1.00 0.00 O ATOM 285 NE2 GLN A 20 -25.158 6.362 -6.129 1.00 0.00 N ATOM 0 H GLN A 20 -21.155 5.581 -2.331 1.00 0.00 H new ATOM 0 HA GLN A 20 -22.689 7.473 -3.962 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -23.703 4.732 -3.103 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -24.692 5.994 -3.810 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -22.482 5.608 -5.566 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -23.059 4.013 -5.123 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -24.877 7.093 -5.476 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -25.945 6.516 -6.760 1.00 0.00 H new ATOM 294 N PRO A 21 -24.251 7.940 -1.895 1.00 0.00 N ATOM 295 CA PRO A 21 -24.821 8.491 -0.659 1.00 0.00 C ATOM 296 C PRO A 21 -25.238 7.393 0.313 1.00 0.00 C ATOM 297 O PRO A 21 -26.417 7.240 0.629 1.00 0.00 O ATOM 298 CB PRO A 21 -26.049 9.271 -1.141 1.00 0.00 C ATOM 299 CG PRO A 21 -25.794 9.543 -2.584 1.00 0.00 C ATOM 300 CD PRO A 21 -24.991 8.378 -3.088 1.00 0.00 C ATOM 0 HA PRO A 21 -24.102 9.105 -0.116 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -26.962 8.692 -1.004 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -26.172 10.198 -0.581 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -26.730 9.639 -3.134 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -25.250 10.478 -2.715 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -25.631 7.587 -3.478 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -24.318 8.671 -3.894 1.00 0.00 H new ATOM 308 N GLY A 22 -24.258 6.626 0.773 1.00 0.00 N ATOM 309 CA GLY A 22 -24.525 5.541 1.693 1.00 0.00 C ATOM 310 C GLY A 22 -23.485 4.453 1.587 1.00 0.00 C ATOM 311 O GLY A 22 -23.329 3.635 2.494 1.00 0.00 O ATOM 0 H GLY A 22 -23.276 6.739 0.522 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -24.547 5.925 2.713 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -25.511 5.124 1.488 1.00 0.00 H new ATOM 315 N ALA A 23 -22.769 4.446 0.471 1.00 0.00 N ATOM 316 CA ALA A 23 -21.736 3.454 0.240 1.00 0.00 C ATOM 317 C ALA A 23 -20.582 4.042 -0.534 1.00 0.00 C ATOM 318 O ALA A 23 -20.635 4.215 -1.751 1.00 0.00 O ATOM 319 CB ALA A 23 -22.311 2.249 -0.474 1.00 0.00 C ATOM 0 H ALA A 23 -22.887 5.118 -0.287 1.00 0.00 H new ATOM 0 HA ALA A 23 -21.353 3.129 1.207 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -21.523 1.514 -0.640 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -23.098 1.806 0.136 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -22.726 2.558 -1.433 1.00 0.00 H new ATOM 325 N PRO A 24 -19.536 4.384 0.204 1.00 0.00 N ATOM 326 CA PRO A 24 -18.339 4.992 -0.307 1.00 0.00 C ATOM 327 C PRO A 24 -17.169 4.034 -0.350 1.00 0.00 C ATOM 328 O PRO A 24 -16.108 4.307 0.208 1.00 0.00 O ATOM 329 CB PRO A 24 -18.126 6.072 0.746 1.00 0.00 C ATOM 330 CG PRO A 24 -18.646 5.470 2.029 1.00 0.00 C ATOM 331 CD PRO A 24 -19.441 4.249 1.652 1.00 0.00 C ATOM 0 HA PRO A 24 -18.420 5.343 -1.336 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -17.072 6.337 0.832 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -18.665 6.985 0.491 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -17.822 5.204 2.692 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -19.269 6.185 2.566 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -18.937 3.328 1.944 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -20.422 4.239 2.126 1.00 0.00 H new ATOM 339 N ILE A 25 -17.380 2.915 -1.020 1.00 0.00 N ATOM 340 CA ILE A 25 -16.381 1.896 -1.172 1.00 0.00 C ATOM 341 C ILE A 25 -14.970 2.451 -1.287 1.00 0.00 C ATOM 342 O ILE A 25 -14.746 3.641 -1.090 1.00 0.00 O ATOM 343 CB ILE A 25 -16.738 1.053 -2.373 1.00 0.00 C ATOM 344 CG1 ILE A 25 -18.037 0.361 -2.066 1.00 0.00 C ATOM 345 CG2 ILE A 25 -15.665 0.021 -2.625 1.00 0.00 C ATOM 346 CD1 ILE A 25 -17.949 -0.370 -0.758 1.00 0.00 C ATOM 0 H ILE A 25 -18.265 2.695 -1.476 1.00 0.00 H new ATOM 0 HA ILE A 25 -16.376 1.286 -0.269 1.00 0.00 H new ATOM 0 HB ILE A 25 -16.827 1.678 -3.262 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -18.844 1.092 -2.027 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -18.280 -0.340 -2.865 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -15.935 -0.580 -3.493 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -14.715 0.522 -2.811 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -15.569 -0.625 -1.752 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -18.899 -0.864 -0.553 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -17.156 -1.115 -0.810 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -17.729 0.338 0.041 1.00 0.00 H new ATOM 358 N LEU A 26 -14.003 1.566 -1.514 1.00 0.00 N ATOM 359 CA LEU A 26 -12.615 1.975 -1.531 1.00 0.00 C ATOM 360 C LEU A 26 -11.715 1.111 -2.374 1.00 0.00 C ATOM 361 O LEU A 26 -12.138 0.411 -3.286 1.00 0.00 O ATOM 362 CB LEU A 26 -12.158 1.894 -0.103 1.00 0.00 C ATOM 363 CG LEU A 26 -13.307 1.623 0.840 1.00 0.00 C ATOM 364 CD1 LEU A 26 -12.836 0.861 2.059 1.00 0.00 C ATOM 365 CD2 LEU A 26 -13.986 2.920 1.246 1.00 0.00 C ATOM 0 H LEU A 26 -14.159 0.573 -1.686 1.00 0.00 H new ATOM 0 HA LEU A 26 -12.553 2.970 -1.971 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -11.413 1.105 -0.004 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -11.671 2.828 0.176 1.00 0.00 H new ATOM 0 HG LEU A 26 -14.036 1.005 0.316 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -13.681 0.678 2.723 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -12.405 -0.091 1.749 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -12.082 1.446 2.585 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -14.810 2.702 1.925 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -13.265 3.567 1.746 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -14.370 3.423 0.359 1.00 0.00 H new ATOM 377 N GLN A 27 -10.446 1.196 -2.028 1.00 0.00 N ATOM 378 CA GLN A 27 -9.405 0.439 -2.714 1.00 0.00 C ATOM 379 C GLN A 27 -8.004 0.957 -2.360 1.00 0.00 C ATOM 380 O GLN A 27 -7.275 1.469 -3.210 1.00 0.00 O ATOM 381 CB GLN A 27 -9.654 0.487 -4.221 1.00 0.00 C ATOM 382 CG GLN A 27 -8.427 0.188 -5.065 1.00 0.00 C ATOM 383 CD GLN A 27 -8.762 -0.626 -6.300 1.00 0.00 C ATOM 384 OE1 GLN A 27 -8.856 -1.851 -6.243 1.00 0.00 O ATOM 385 NE2 GLN A 27 -8.949 0.054 -7.425 1.00 0.00 N ATOM 0 H GLN A 27 -10.104 1.786 -1.270 1.00 0.00 H new ATOM 0 HA GLN A 27 -9.447 -0.598 -2.381 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -10.437 -0.229 -4.472 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -10.030 1.476 -4.484 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -7.959 1.125 -5.366 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -7.698 -0.353 -4.463 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -8.861 1.070 -7.427 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -9.180 -0.440 -8.287 1.00 0.00 H new ATOM 394 N CYS A 28 -7.657 0.808 -1.082 1.00 0.00 N ATOM 395 CA CYS A 28 -6.363 1.234 -0.530 1.00 0.00 C ATOM 396 C CYS A 28 -5.545 2.082 -1.499 1.00 0.00 C ATOM 397 O CYS A 28 -5.066 1.592 -2.522 1.00 0.00 O ATOM 398 CB CYS A 28 -5.530 0.025 -0.089 1.00 0.00 C ATOM 399 SG CYS A 28 -4.571 0.306 1.441 1.00 0.00 S ATOM 0 H CYS A 28 -8.272 0.383 -0.388 1.00 0.00 H new ATOM 0 HA CYS A 28 -6.601 1.857 0.332 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -6.194 -0.826 0.061 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -4.844 -0.244 -0.892 1.00 0.00 H new ATOM 404 N MET A 29 -5.373 3.355 -1.150 1.00 0.00 N ATOM 405 CA MET A 29 -4.595 4.286 -1.962 1.00 0.00 C ATOM 406 C MET A 29 -3.307 4.685 -1.249 1.00 0.00 C ATOM 407 O MET A 29 -3.322 5.504 -0.330 1.00 0.00 O ATOM 408 CB MET A 29 -5.425 5.531 -2.275 1.00 0.00 C ATOM 409 CG MET A 29 -4.712 6.536 -3.165 1.00 0.00 C ATOM 410 SD MET A 29 -5.741 7.963 -3.561 1.00 0.00 S ATOM 411 CE MET A 29 -5.740 7.896 -5.350 1.00 0.00 C ATOM 0 H MET A 29 -5.766 3.767 -0.304 1.00 0.00 H new ATOM 0 HA MET A 29 -4.331 3.787 -2.894 1.00 0.00 H new ATOM 0 HB2 MET A 29 -6.353 5.226 -2.759 1.00 0.00 H new ATOM 0 HB3 MET A 29 -5.699 6.018 -1.339 1.00 0.00 H new ATOM 0 HG2 MET A 29 -3.803 6.875 -2.668 1.00 0.00 H new ATOM 0 HG3 MET A 29 -4.407 6.045 -4.089 1.00 0.00 H new ATOM 0 HE1 MET A 29 -6.337 8.718 -5.745 1.00 0.00 H new ATOM 0 HE2 MET A 29 -4.717 7.981 -5.717 1.00 0.00 H new ATOM 0 HE3 MET A 29 -6.165 6.948 -5.679 1.00 0.00 H new ATOM 421 N GLY A 30 -2.195 4.098 -1.681 1.00 0.00 N ATOM 422 CA GLY A 30 -0.911 4.398 -1.078 1.00 0.00 C ATOM 423 C GLY A 30 -0.064 3.158 -0.875 1.00 0.00 C ATOM 424 O GLY A 30 -0.344 2.106 -1.450 1.00 0.00 O ATOM 0 H GLY A 30 -2.162 3.418 -2.440 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -0.372 5.103 -1.710 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -1.069 4.888 -0.117 1.00 0.00 H new ATOM 428 N CYS A 31 0.972 3.278 -0.053 1.00 0.00 N ATOM 429 CA CYS A 31 1.857 2.154 0.227 1.00 0.00 C ATOM 430 C CYS A 31 2.969 2.562 1.182 1.00 0.00 C ATOM 431 O CYS A 31 4.141 2.263 0.956 1.00 0.00 O ATOM 432 CB CYS A 31 2.454 1.606 -1.070 1.00 0.00 C ATOM 433 SG CYS A 31 3.623 2.739 -1.889 1.00 0.00 S ATOM 0 H CYS A 31 1.220 4.141 0.431 1.00 0.00 H new ATOM 0 HA CYS A 31 1.266 1.371 0.701 1.00 0.00 H new ATOM 0 HB2 CYS A 31 2.965 0.668 -0.854 1.00 0.00 H new ATOM 0 HB3 CYS A 31 1.643 1.376 -1.761 1.00 0.00 H new ATOM 438 N CYS A 32 2.582 3.239 2.252 1.00 0.00 N ATOM 439 CA CYS A 32 3.533 3.695 3.258 1.00 0.00 C ATOM 440 C CYS A 32 4.809 4.216 2.602 1.00 0.00 C ATOM 441 O CYS A 32 4.884 4.341 1.380 1.00 0.00 O ATOM 442 CB CYS A 32 3.864 2.557 4.226 1.00 0.00 C ATOM 443 SG CYS A 32 2.678 2.381 5.600 1.00 0.00 S ATOM 0 H CYS A 32 1.612 3.486 2.448 1.00 0.00 H new ATOM 0 HA CYS A 32 3.076 4.513 3.815 1.00 0.00 H new ATOM 0 HB2 CYS A 32 3.901 1.620 3.670 1.00 0.00 H new ATOM 0 HB3 CYS A 32 4.859 2.723 4.638 1.00 0.00 H new ATOM 448 N PHE A 33 5.811 4.522 3.420 1.00 0.00 N ATOM 449 CA PHE A 33 7.083 5.031 2.912 1.00 0.00 C ATOM 450 C PHE A 33 8.139 5.078 4.013 1.00 0.00 C ATOM 451 O PHE A 33 9.150 5.767 3.882 1.00 0.00 O ATOM 452 CB PHE A 33 6.892 6.426 2.316 1.00 0.00 C ATOM 453 CG PHE A 33 5.720 7.165 2.895 1.00 0.00 C ATOM 454 CD1 PHE A 33 5.505 7.184 4.264 1.00 0.00 C ATOM 455 CD2 PHE A 33 4.831 7.837 2.071 1.00 0.00 C ATOM 456 CE1 PHE A 33 4.426 7.859 4.801 1.00 0.00 C ATOM 457 CE2 PHE A 33 3.748 8.513 2.603 1.00 0.00 C ATOM 458 CZ PHE A 33 3.546 8.524 3.969 1.00 0.00 C ATOM 0 H PHE A 33 5.769 4.427 4.435 1.00 0.00 H new ATOM 0 HA PHE A 33 7.430 4.350 2.135 1.00 0.00 H new ATOM 0 HB2 PHE A 33 7.798 7.010 2.479 1.00 0.00 H new ATOM 0 HB3 PHE A 33 6.760 6.338 1.238 1.00 0.00 H new ATOM 0 HD1 PHE A 33 6.189 6.665 4.919 1.00 0.00 H new ATOM 0 HD2 PHE A 33 4.986 7.833 1.002 1.00 0.00 H new ATOM 0 HE1 PHE A 33 4.271 7.867 5.870 1.00 0.00 H new ATOM 0 HE2 PHE A 33 3.061 9.032 1.951 1.00 0.00 H new ATOM 0 HZ PHE A 33 2.701 9.052 4.386 1.00 0.00 H new ATOM 468 N SER A 34 7.902 4.342 5.094 1.00 0.00 N ATOM 469 CA SER A 34 8.839 4.306 6.212 1.00 0.00 C ATOM 470 C SER A 34 9.892 3.226 5.997 1.00 0.00 C ATOM 471 O SER A 34 9.826 2.153 6.598 1.00 0.00 O ATOM 472 CB SER A 34 8.092 4.051 7.522 1.00 0.00 C ATOM 473 OG SER A 34 8.899 4.372 8.642 1.00 0.00 O ATOM 0 H SER A 34 7.071 3.764 5.220 1.00 0.00 H new ATOM 0 HA SER A 34 9.338 5.273 6.270 1.00 0.00 H new ATOM 0 HB2 SER A 34 7.179 4.646 7.545 1.00 0.00 H new ATOM 0 HB3 SER A 34 7.791 3.005 7.575 1.00 0.00 H new ATOM 0 HG SER A 34 8.397 4.201 9.466 1.00 0.00 H new ATOM 479 N ARG A 35 10.862 3.512 5.134 1.00 0.00 N ATOM 480 CA ARG A 35 11.925 2.559 4.841 1.00 0.00 C ATOM 481 C ARG A 35 13.280 3.257 4.745 1.00 0.00 C ATOM 482 O ARG A 35 13.953 3.189 3.717 1.00 0.00 O ATOM 483 CB ARG A 35 11.621 1.818 3.538 1.00 0.00 C ATOM 484 CG ARG A 35 12.327 0.477 3.420 1.00 0.00 C ATOM 485 CD ARG A 35 11.334 -0.673 3.373 1.00 0.00 C ATOM 486 NE ARG A 35 11.892 -1.903 3.929 1.00 0.00 N ATOM 487 CZ ARG A 35 12.247 -2.040 5.203 1.00 0.00 C ATOM 488 NH1 ARG A 35 12.097 -1.029 6.046 1.00 0.00 N ATOM 489 NH2 ARG A 35 12.749 -3.189 5.635 1.00 0.00 N ATOM 0 H ARG A 35 10.933 4.394 4.627 1.00 0.00 H new ATOM 0 HA ARG A 35 11.972 1.841 5.659 1.00 0.00 H new ATOM 0 HB2 ARG A 35 10.545 1.660 3.462 1.00 0.00 H new ATOM 0 HB3 ARG A 35 11.911 2.447 2.696 1.00 0.00 H new ATOM 0 HG2 ARG A 35 12.941 0.466 2.520 1.00 0.00 H new ATOM 0 HG3 ARG A 35 13.000 0.343 4.267 1.00 0.00 H new ATOM 0 HD2 ARG A 35 10.436 -0.399 3.928 1.00 0.00 H new ATOM 0 HD3 ARG A 35 11.030 -0.847 2.341 1.00 0.00 H new ATOM 0 HE ARG A 35 12.016 -2.701 3.306 1.00 0.00 H new ATOM 0 HH11 ARG A 35 11.709 -0.145 5.718 1.00 0.00 H new ATOM 0 HH12 ARG A 35 12.370 -1.135 7.023 1.00 0.00 H new ATOM 0 HH21 ARG A 35 12.864 -3.970 4.989 1.00 0.00 H new ATOM 0 HH22 ARG A 35 13.021 -3.291 6.613 1.00 0.00 H new ATOM 503 N ALA A 36 13.675 3.921 5.828 1.00 0.00 N ATOM 504 CA ALA A 36 14.952 4.626 5.874 1.00 0.00 C ATOM 505 C ALA A 36 15.432 4.785 7.311 1.00 0.00 C ATOM 506 O ALA A 36 15.233 5.828 7.934 1.00 0.00 O ATOM 507 CB ALA A 36 14.838 5.983 5.204 1.00 0.00 C ATOM 0 H ALA A 36 13.128 3.985 6.686 1.00 0.00 H new ATOM 0 HA ALA A 36 15.686 4.031 5.331 1.00 0.00 H new ATOM 0 HB1 ALA A 36 15.800 6.493 5.249 1.00 0.00 H new ATOM 0 HB2 ALA A 36 14.545 5.851 4.162 1.00 0.00 H new ATOM 0 HB3 ALA A 36 14.086 6.581 5.719 1.00 0.00 H new ATOM 513 N TYR A 37 16.060 3.739 7.828 1.00 0.00 N ATOM 514 CA TYR A 37 16.569 3.746 9.195 1.00 0.00 C ATOM 515 C TYR A 37 17.860 4.553 9.301 1.00 0.00 C ATOM 516 O TYR A 37 18.021 5.367 10.210 1.00 0.00 O ATOM 517 CB TYR A 37 16.806 2.314 9.680 1.00 0.00 C ATOM 518 CG TYR A 37 17.071 2.211 11.165 1.00 0.00 C ATOM 519 CD1 TYR A 37 16.666 3.215 12.037 1.00 0.00 C ATOM 520 CD2 TYR A 37 17.727 1.108 11.695 1.00 0.00 C ATOM 521 CE1 TYR A 37 16.907 3.121 13.394 1.00 0.00 C ATOM 522 CE2 TYR A 37 17.972 1.006 13.051 1.00 0.00 C ATOM 523 CZ TYR A 37 17.560 2.015 13.896 1.00 0.00 C ATOM 524 OH TYR A 37 17.802 1.917 15.246 1.00 0.00 O ATOM 0 H TYR A 37 16.231 2.871 7.321 1.00 0.00 H new ATOM 0 HA TYR A 37 15.819 4.220 9.829 1.00 0.00 H new ATOM 0 HB2 TYR A 37 15.935 1.707 9.432 1.00 0.00 H new ATOM 0 HB3 TYR A 37 17.653 1.892 9.139 1.00 0.00 H new ATOM 0 HD1 TYR A 37 16.155 4.083 11.647 1.00 0.00 H new ATOM 0 HD2 TYR A 37 18.051 0.316 11.036 1.00 0.00 H new ATOM 0 HE1 TYR A 37 16.586 3.910 14.058 1.00 0.00 H new ATOM 0 HE2 TYR A 37 18.483 0.141 13.447 1.00 0.00 H new ATOM 0 HH TYR A 37 18.270 1.077 15.434 1.00 0.00 H new ATOM 534 N PRO A 38 18.798 4.336 8.368 1.00 0.00 N ATOM 535 CA PRO A 38 20.082 5.045 8.358 1.00 0.00 C ATOM 536 C PRO A 38 19.906 6.560 8.389 1.00 0.00 C ATOM 537 O PRO A 38 18.994 7.102 7.764 1.00 0.00 O ATOM 538 CB PRO A 38 20.723 4.610 7.038 1.00 0.00 C ATOM 539 CG PRO A 38 20.083 3.304 6.714 1.00 0.00 C ATOM 540 CD PRO A 38 18.681 3.382 7.252 1.00 0.00 C ATOM 0 HA PRO A 38 20.683 4.808 9.236 1.00 0.00 H new ATOM 0 HB2 PRO A 38 20.545 5.343 6.252 1.00 0.00 H new ATOM 0 HB3 PRO A 38 21.803 4.507 7.138 1.00 0.00 H new ATOM 0 HG2 PRO A 38 20.078 3.128 5.638 1.00 0.00 H new ATOM 0 HG3 PRO A 38 20.630 2.478 7.169 1.00 0.00 H new ATOM 0 HD2 PRO A 38 17.979 3.732 6.495 1.00 0.00 H new ATOM 0 HD3 PRO A 38 18.325 2.409 7.590 1.00 0.00 H new ATOM 548 N THR A 39 20.787 7.237 9.118 1.00 0.00 N ATOM 549 CA THR A 39 20.734 8.689 9.230 1.00 0.00 C ATOM 550 C THR A 39 21.285 9.346 7.968 1.00 0.00 C ATOM 551 O THR A 39 21.714 8.661 7.039 1.00 0.00 O ATOM 552 CB THR A 39 21.527 9.154 10.453 1.00 0.00 C ATOM 553 OG1 THR A 39 22.168 8.057 11.081 1.00 0.00 O ATOM 554 CG2 THR A 39 20.672 9.844 11.494 1.00 0.00 C ATOM 0 H THR A 39 21.547 6.802 9.641 1.00 0.00 H new ATOM 0 HA THR A 39 19.692 8.987 9.349 1.00 0.00 H new ATOM 0 HB THR A 39 22.254 9.871 10.071 1.00 0.00 H new ATOM 0 HG1 THR A 39 22.671 8.374 11.860 1.00 0.00 H new ATOM 0 HG21 THR A 39 21.296 10.148 12.334 1.00 0.00 H new ATOM 0 HG22 THR A 39 20.202 10.724 11.054 1.00 0.00 H new ATOM 0 HG23 THR A 39 19.901 9.158 11.845 1.00 0.00 H new ATOM 562 N PRO A 40 21.282 10.688 7.917 1.00 0.00 N ATOM 563 CA PRO A 40 21.784 11.434 6.762 1.00 0.00 C ATOM 564 C PRO A 40 23.309 11.472 6.711 1.00 0.00 C ATOM 565 O PRO A 40 23.902 12.484 6.339 1.00 0.00 O ATOM 566 CB PRO A 40 21.220 12.836 6.983 1.00 0.00 C ATOM 567 CG PRO A 40 21.097 12.962 8.462 1.00 0.00 C ATOM 568 CD PRO A 40 20.786 11.581 8.981 1.00 0.00 C ATOM 0 HA PRO A 40 21.483 10.980 5.818 1.00 0.00 H new ATOM 0 HB2 PRO A 40 21.882 13.599 6.574 1.00 0.00 H new ATOM 0 HB3 PRO A 40 20.254 12.957 6.493 1.00 0.00 H new ATOM 0 HG2 PRO A 40 22.021 13.342 8.898 1.00 0.00 H new ATOM 0 HG3 PRO A 40 20.307 13.664 8.728 1.00 0.00 H new ATOM 0 HD2 PRO A 40 21.285 11.388 9.931 1.00 0.00 H new ATOM 0 HD3 PRO A 40 19.717 11.448 9.150 1.00 0.00 H new ATOM 576 N LEU A 41 23.937 10.362 7.084 1.00 0.00 N ATOM 577 CA LEU A 41 25.391 10.265 7.077 1.00 0.00 C ATOM 578 C LEU A 41 25.838 8.907 6.547 1.00 0.00 C ATOM 579 O LEU A 41 27.027 8.589 6.549 1.00 0.00 O ATOM 580 CB LEU A 41 25.947 10.482 8.487 1.00 0.00 C ATOM 581 CG LEU A 41 27.133 11.446 8.579 1.00 0.00 C ATOM 582 CD1 LEU A 41 27.876 11.512 7.255 1.00 0.00 C ATOM 583 CD2 LEU A 41 26.663 12.831 8.997 1.00 0.00 C ATOM 0 H LEU A 41 23.460 9.516 7.395 1.00 0.00 H new ATOM 0 HA LEU A 41 25.780 11.042 6.419 1.00 0.00 H new ATOM 0 HB2 LEU A 41 25.145 10.857 9.123 1.00 0.00 H new ATOM 0 HB3 LEU A 41 26.251 9.517 8.893 1.00 0.00 H new ATOM 0 HG LEU A 41 27.820 11.071 9.338 1.00 0.00 H new ATOM 0 HD11 LEU A 41 28.715 12.203 7.343 1.00 0.00 H new ATOM 0 HD12 LEU A 41 28.248 10.520 6.997 1.00 0.00 H new ATOM 0 HD13 LEU A 41 27.199 11.860 6.475 1.00 0.00 H new ATOM 0 HD21 LEU A 41 27.519 13.503 9.057 1.00 0.00 H new ATOM 0 HD22 LEU A 41 25.954 13.212 8.262 1.00 0.00 H new ATOM 0 HD23 LEU A 41 26.179 12.772 9.972 1.00 0.00 H new ATOM 595 N ARG A 42 24.875 8.108 6.094 1.00 0.00 N ATOM 596 CA ARG A 42 25.164 6.782 5.561 1.00 0.00 C ATOM 597 C ARG A 42 24.670 6.656 4.123 1.00 0.00 C ATOM 598 O ARG A 42 25.451 6.394 3.208 1.00 0.00 O ATOM 599 CB ARG A 42 24.509 5.710 6.433 1.00 0.00 C ATOM 600 CG ARG A 42 25.479 4.656 6.942 1.00 0.00 C ATOM 601 CD ARG A 42 24.772 3.342 7.229 1.00 0.00 C ATOM 602 NE ARG A 42 24.233 2.729 6.016 1.00 0.00 N ATOM 603 CZ ARG A 42 24.843 1.757 5.341 1.00 0.00 C ATOM 604 NH1 ARG A 42 26.022 1.302 5.743 1.00 0.00 N ATOM 605 NH2 ARG A 42 24.275 1.243 4.259 1.00 0.00 N ATOM 0 H ARG A 42 23.886 8.358 6.086 1.00 0.00 H new ATOM 0 HA ARG A 42 26.245 6.639 5.569 1.00 0.00 H new ATOM 0 HB2 ARG A 42 24.030 6.191 7.286 1.00 0.00 H new ATOM 0 HB3 ARG A 42 23.722 5.220 5.860 1.00 0.00 H new ATOM 0 HG2 ARG A 42 26.264 4.495 6.203 1.00 0.00 H new ATOM 0 HG3 ARG A 42 25.965 5.015 7.849 1.00 0.00 H new ATOM 0 HD2 ARG A 42 25.470 2.652 7.704 1.00 0.00 H new ATOM 0 HD3 ARG A 42 23.962 3.514 7.938 1.00 0.00 H new ATOM 0 HE ARG A 42 23.336 3.066 5.666 1.00 0.00 H new ATOM 0 HH11 ARG A 42 26.465 1.697 6.573 1.00 0.00 H new ATOM 0 HH12 ARG A 42 26.486 0.557 5.223 1.00 0.00 H new ATOM 0 HH21 ARG A 42 23.370 1.592 3.943 1.00 0.00 H new ATOM 0 HH22 ARG A 42 24.743 0.498 3.742 1.00 0.00 H new ATOM 619 N SER A 43 23.368 6.844 3.934 1.00 0.00 N ATOM 620 CA SER A 43 22.764 6.751 2.609 1.00 0.00 C ATOM 621 C SER A 43 23.024 8.016 1.795 1.00 0.00 C ATOM 622 O SER A 43 22.801 9.129 2.271 1.00 0.00 O ATOM 623 CB SER A 43 21.257 6.510 2.731 1.00 0.00 C ATOM 624 OG SER A 43 20.867 5.347 2.023 1.00 0.00 O ATOM 0 H SER A 43 22.710 7.062 4.682 1.00 0.00 H new ATOM 0 HA SER A 43 23.222 5.910 2.089 1.00 0.00 H new ATOM 0 HB2 SER A 43 20.986 6.408 3.782 1.00 0.00 H new ATOM 0 HB3 SER A 43 20.715 7.373 2.345 1.00 0.00 H new ATOM 0 HG SER A 43 19.901 5.215 2.118 1.00 0.00 H new ATOM 630 N LYS A 44 23.496 7.835 0.565 1.00 0.00 N ATOM 631 CA LYS A 44 23.787 8.959 -0.319 1.00 0.00 C ATOM 632 C LYS A 44 23.119 8.770 -1.678 1.00 0.00 C ATOM 633 O LYS A 44 22.137 9.440 -1.998 1.00 0.00 O ATOM 634 CB LYS A 44 25.297 9.109 -0.502 1.00 0.00 C ATOM 635 CG LYS A 44 26.066 9.204 0.806 1.00 0.00 C ATOM 636 CD LYS A 44 27.549 9.427 0.560 1.00 0.00 C ATOM 637 CE LYS A 44 28.223 10.076 1.757 1.00 0.00 C ATOM 638 NZ LYS A 44 27.845 11.509 1.898 1.00 0.00 N ATOM 0 H LYS A 44 23.685 6.919 0.157 1.00 0.00 H new ATOM 0 HA LYS A 44 23.388 9.863 0.141 1.00 0.00 H new ATOM 0 HB2 LYS A 44 25.671 8.258 -1.072 1.00 0.00 H new ATOM 0 HB3 LYS A 44 25.495 10.002 -1.095 1.00 0.00 H new ATOM 0 HG2 LYS A 44 25.668 10.022 1.406 1.00 0.00 H new ATOM 0 HG3 LYS A 44 25.924 8.289 1.381 1.00 0.00 H new ATOM 0 HD2 LYS A 44 28.030 8.473 0.344 1.00 0.00 H new ATOM 0 HD3 LYS A 44 27.682 10.057 -0.319 1.00 0.00 H new ATOM 0 HE2 LYS A 44 27.949 9.537 2.664 1.00 0.00 H new ATOM 0 HE3 LYS A 44 29.305 9.995 1.653 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 28.503 11.979 2.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 27.891 11.973 0.968 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 26.877 11.578 2.272 1.00 0.00 H new ATOM 652 N LYS A 45 23.663 7.854 -2.473 1.00 0.00 N ATOM 653 CA LYS A 45 23.131 7.568 -3.802 1.00 0.00 C ATOM 654 C LYS A 45 23.620 6.206 -4.288 1.00 0.00 C ATOM 655 O LYS A 45 23.880 6.013 -5.476 1.00 0.00 O ATOM 656 CB LYS A 45 23.551 8.662 -4.788 1.00 0.00 C ATOM 657 CG LYS A 45 22.929 8.521 -6.170 1.00 0.00 C ATOM 658 CD LYS A 45 21.439 8.822 -6.151 1.00 0.00 C ATOM 659 CE LYS A 45 21.119 10.000 -5.246 1.00 0.00 C ATOM 660 NZ LYS A 45 19.833 10.651 -5.619 1.00 0.00 N ATOM 0 H LYS A 45 24.477 7.294 -2.218 1.00 0.00 H new ATOM 0 HA LYS A 45 22.043 7.548 -3.743 1.00 0.00 H new ATOM 0 HB2 LYS A 45 23.278 9.633 -4.375 1.00 0.00 H new ATOM 0 HB3 LYS A 45 24.636 8.651 -4.886 1.00 0.00 H new ATOM 0 HG2 LYS A 45 23.428 9.198 -6.864 1.00 0.00 H new ATOM 0 HG3 LYS A 45 23.091 7.509 -6.540 1.00 0.00 H new ATOM 0 HD2 LYS A 45 21.097 9.037 -7.164 1.00 0.00 H new ATOM 0 HD3 LYS A 45 20.893 7.942 -5.811 1.00 0.00 H new ATOM 0 HE2 LYS A 45 21.068 9.660 -4.212 1.00 0.00 H new ATOM 0 HE3 LYS A 45 21.926 10.731 -5.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 19.650 11.450 -4.979 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 19.891 10.998 -6.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 19.059 9.961 -5.541 1.00 0.00 H new ATOM 674 N THR A 46 23.750 5.268 -3.356 1.00 0.00 N ATOM 675 CA THR A 46 24.215 3.924 -3.679 1.00 0.00 C ATOM 676 C THR A 46 25.717 3.925 -3.950 1.00 0.00 C ATOM 677 O THR A 46 26.313 4.977 -4.182 1.00 0.00 O ATOM 678 CB THR A 46 23.461 3.375 -4.891 1.00 0.00 C ATOM 679 OG1 THR A 46 22.188 3.987 -5.010 1.00 0.00 O ATOM 680 CG2 THR A 46 23.245 1.878 -4.830 1.00 0.00 C ATOM 0 H THR A 46 23.539 5.414 -2.369 1.00 0.00 H new ATOM 0 HA THR A 46 24.018 3.279 -2.822 1.00 0.00 H new ATOM 0 HB THR A 46 24.090 3.603 -5.751 1.00 0.00 H new ATOM 0 HG1 THR A 46 22.176 4.567 -5.800 1.00 0.00 H new ATOM 0 HG21 THR A 46 22.705 1.552 -5.719 1.00 0.00 H new ATOM 0 HG22 THR A 46 24.210 1.373 -4.786 1.00 0.00 H new ATOM 0 HG23 THR A 46 22.665 1.630 -3.941 1.00 0.00 H new ATOM 688 N MET A 47 26.326 2.743 -3.911 1.00 0.00 N ATOM 689 CA MET A 47 27.762 2.619 -4.146 1.00 0.00 C ATOM 690 C MET A 47 28.126 1.220 -4.637 1.00 0.00 C ATOM 691 O MET A 47 27.280 0.328 -4.687 1.00 0.00 O ATOM 692 CB MET A 47 28.532 2.933 -2.862 1.00 0.00 C ATOM 693 CG MET A 47 28.207 1.992 -1.713 1.00 0.00 C ATOM 694 SD MET A 47 29.683 1.324 -0.922 1.00 0.00 S ATOM 695 CE MET A 47 29.145 1.242 0.786 1.00 0.00 C ATOM 0 H MET A 47 25.850 1.861 -3.720 1.00 0.00 H new ATOM 0 HA MET A 47 28.038 3.334 -4.921 1.00 0.00 H new ATOM 0 HB2 MET A 47 29.601 2.885 -3.068 1.00 0.00 H new ATOM 0 HB3 MET A 47 28.311 3.956 -2.557 1.00 0.00 H new ATOM 0 HG2 MET A 47 27.611 2.523 -0.971 1.00 0.00 H new ATOM 0 HG3 MET A 47 27.595 1.170 -2.084 1.00 0.00 H new ATOM 0 HE1 MET A 47 29.952 0.847 1.403 1.00 0.00 H new ATOM 0 HE2 MET A 47 28.879 2.241 1.132 1.00 0.00 H new ATOM 0 HE3 MET A 47 28.276 0.588 0.863 1.00 0.00 H new ATOM 705 N LEU A 48 29.395 1.040 -4.992 1.00 0.00 N ATOM 706 CA LEU A 48 29.885 -0.247 -5.474 1.00 0.00 C ATOM 707 C LEU A 48 29.153 -0.679 -6.741 1.00 0.00 C ATOM 708 O LEU A 48 28.453 0.116 -7.369 1.00 0.00 O ATOM 709 CB LEU A 48 29.720 -1.313 -4.391 1.00 0.00 C ATOM 710 CG LEU A 48 30.815 -2.380 -4.360 1.00 0.00 C ATOM 711 CD1 LEU A 48 31.732 -2.165 -3.168 1.00 0.00 C ATOM 712 CD2 LEU A 48 30.199 -3.770 -4.320 1.00 0.00 C ATOM 0 H LEU A 48 30.104 1.772 -4.955 1.00 0.00 H new ATOM 0 HA LEU A 48 30.943 -0.134 -5.713 1.00 0.00 H new ATOM 0 HB2 LEU A 48 29.687 -0.820 -3.419 1.00 0.00 H new ATOM 0 HB3 LEU A 48 28.758 -1.806 -4.531 1.00 0.00 H new ATOM 0 HG LEU A 48 31.410 -2.294 -5.269 1.00 0.00 H new ATOM 0 HD11 LEU A 48 32.506 -2.933 -3.161 1.00 0.00 H new ATOM 0 HD12 LEU A 48 32.197 -1.182 -3.240 1.00 0.00 H new ATOM 0 HD13 LEU A 48 31.152 -2.226 -2.247 1.00 0.00 H new ATOM 0 HD21 LEU A 48 30.991 -4.519 -4.298 1.00 0.00 H new ATOM 0 HD22 LEU A 48 29.582 -3.869 -3.427 1.00 0.00 H new ATOM 0 HD23 LEU A 48 29.582 -3.920 -5.206 1.00 0.00 H new ATOM 724 N VAL A 49 29.322 -1.947 -7.109 1.00 0.00 N ATOM 725 CA VAL A 49 28.678 -2.494 -8.299 1.00 0.00 C ATOM 726 C VAL A 49 27.525 -3.406 -7.923 1.00 0.00 C ATOM 727 O VAL A 49 26.790 -3.897 -8.780 1.00 0.00 O ATOM 728 CB VAL A 49 29.677 -3.276 -9.169 1.00 0.00 C ATOM 729 CG1 VAL A 49 29.803 -4.715 -8.685 1.00 0.00 C ATOM 730 CG2 VAL A 49 29.263 -3.231 -10.632 1.00 0.00 C ATOM 0 H VAL A 49 29.900 -2.615 -6.599 1.00 0.00 H new ATOM 0 HA VAL A 49 28.297 -1.648 -8.872 1.00 0.00 H new ATOM 0 HB VAL A 49 30.654 -2.802 -9.077 1.00 0.00 H new ATOM 0 HG11 VAL A 49 30.514 -5.250 -9.314 1.00 0.00 H new ATOM 0 HG12 VAL A 49 30.154 -4.722 -7.653 1.00 0.00 H new ATOM 0 HG13 VAL A 49 28.830 -5.204 -8.741 1.00 0.00 H new ATOM 0 HG21 VAL A 49 29.982 -3.790 -11.231 1.00 0.00 H new ATOM 0 HG22 VAL A 49 28.274 -3.676 -10.744 1.00 0.00 H new ATOM 0 HG23 VAL A 49 29.236 -2.195 -10.971 1.00 0.00 H new ATOM 740 N GLN A 50 27.380 -3.620 -6.632 1.00 0.00 N ATOM 741 CA GLN A 50 26.321 -4.471 -6.105 1.00 0.00 C ATOM 742 C GLN A 50 24.949 -3.894 -6.438 1.00 0.00 C ATOM 743 O GLN A 50 24.717 -2.693 -6.294 1.00 0.00 O ATOM 744 CB GLN A 50 26.468 -4.630 -4.590 1.00 0.00 C ATOM 745 CG GLN A 50 25.337 -5.416 -3.948 1.00 0.00 C ATOM 746 CD GLN A 50 25.035 -4.953 -2.536 1.00 0.00 C ATOM 747 OE1 GLN A 50 25.779 -4.162 -1.957 1.00 0.00 O ATOM 748 NE2 GLN A 50 23.938 -5.448 -1.974 1.00 0.00 N ATOM 0 H GLN A 50 27.986 -3.214 -5.918 1.00 0.00 H new ATOM 0 HA GLN A 50 26.409 -5.451 -6.573 1.00 0.00 H new ATOM 0 HB2 GLN A 50 27.413 -5.129 -4.375 1.00 0.00 H new ATOM 0 HB3 GLN A 50 26.518 -3.642 -4.133 1.00 0.00 H new ATOM 0 HG2 GLN A 50 24.439 -5.319 -4.558 1.00 0.00 H new ATOM 0 HG3 GLN A 50 25.598 -6.474 -3.932 1.00 0.00 H new ATOM 0 HE21 GLN A 50 23.350 -6.101 -2.492 1.00 0.00 H new ATOM 0 HE22 GLN A 50 23.683 -5.175 -1.025 1.00 0.00 H new ATOM 757 N LYS A 51 24.043 -4.757 -6.884 1.00 0.00 N ATOM 758 CA LYS A 51 22.693 -4.334 -7.239 1.00 0.00 C ATOM 759 C LYS A 51 21.772 -5.540 -7.391 1.00 0.00 C ATOM 760 O LYS A 51 21.225 -5.783 -8.467 1.00 0.00 O ATOM 761 CB LYS A 51 22.714 -3.523 -8.537 1.00 0.00 C ATOM 762 CG LYS A 51 22.594 -2.022 -8.321 1.00 0.00 C ATOM 763 CD LYS A 51 21.173 -1.626 -7.954 1.00 0.00 C ATOM 764 CE LYS A 51 20.320 -1.402 -9.191 1.00 0.00 C ATOM 765 NZ LYS A 51 19.266 -2.445 -9.334 1.00 0.00 N ATOM 0 H LYS A 51 24.219 -5.754 -7.008 1.00 0.00 H new ATOM 0 HA LYS A 51 22.310 -3.705 -6.435 1.00 0.00 H new ATOM 0 HB2 LYS A 51 23.641 -3.732 -9.071 1.00 0.00 H new ATOM 0 HB3 LYS A 51 21.896 -3.856 -9.177 1.00 0.00 H new ATOM 0 HG2 LYS A 51 23.276 -1.711 -7.529 1.00 0.00 H new ATOM 0 HG3 LYS A 51 22.897 -1.497 -9.227 1.00 0.00 H new ATOM 0 HD2 LYS A 51 20.725 -2.405 -7.338 1.00 0.00 H new ATOM 0 HD3 LYS A 51 21.191 -0.716 -7.354 1.00 0.00 H new ATOM 0 HE2 LYS A 51 19.853 -0.419 -9.137 1.00 0.00 H new ATOM 0 HE3 LYS A 51 20.956 -1.405 -10.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 18.705 -2.257 -10.190 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 19.712 -3.381 -9.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 18.643 -2.426 -8.501 1.00 0.00 H new ATOM 779 N ASN A 52 21.606 -6.294 -6.308 1.00 0.00 N ATOM 780 CA ASN A 52 20.753 -7.477 -6.323 1.00 0.00 C ATOM 781 C ASN A 52 19.368 -7.160 -5.769 1.00 0.00 C ATOM 782 O ASN A 52 19.110 -6.045 -5.315 1.00 0.00 O ATOM 783 CB ASN A 52 21.406 -8.614 -5.525 1.00 0.00 C ATOM 784 CG ASN A 52 21.007 -8.628 -4.059 1.00 0.00 C ATOM 785 OD1 ASN A 52 20.122 -7.888 -3.632 1.00 0.00 O ATOM 786 ND2 ASN A 52 21.672 -9.474 -3.278 1.00 0.00 N ATOM 0 H ASN A 52 22.051 -6.106 -5.410 1.00 0.00 H new ATOM 0 HA ASN A 52 20.635 -7.799 -7.358 1.00 0.00 H new ATOM 0 HB2 ASN A 52 21.134 -9.568 -5.977 1.00 0.00 H new ATOM 0 HB3 ASN A 52 22.490 -8.524 -5.598 1.00 0.00 H new ATOM 0 HD22 ASN A 52 22.399 -10.070 -3.674 1.00 0.00 H new ATOM 791 N VAL A 53 18.480 -8.148 -5.808 1.00 0.00 N ATOM 792 CA VAL A 53 17.121 -7.974 -5.309 1.00 0.00 C ATOM 793 C VAL A 53 17.116 -7.612 -3.828 1.00 0.00 C ATOM 794 O VAL A 53 17.803 -8.239 -3.021 1.00 0.00 O ATOM 795 CB VAL A 53 16.282 -9.248 -5.512 1.00 0.00 C ATOM 796 CG1 VAL A 53 15.939 -9.434 -6.982 1.00 0.00 C ATOM 797 CG2 VAL A 53 17.022 -10.461 -4.968 1.00 0.00 C ATOM 0 H VAL A 53 18.677 -9.077 -6.180 1.00 0.00 H new ATOM 0 HA VAL A 53 16.680 -7.158 -5.881 1.00 0.00 H new ATOM 0 HB VAL A 53 15.348 -9.142 -4.959 1.00 0.00 H new ATOM 0 HG11 VAL A 53 15.346 -10.340 -7.105 1.00 0.00 H new ATOM 0 HG12 VAL A 53 15.367 -8.575 -7.334 1.00 0.00 H new ATOM 0 HG13 VAL A 53 16.858 -9.520 -7.562 1.00 0.00 H new ATOM 0 HG21 VAL A 53 16.416 -11.355 -5.119 1.00 0.00 H new ATOM 0 HG22 VAL A 53 17.971 -10.573 -5.492 1.00 0.00 H new ATOM 0 HG23 VAL A 53 17.210 -10.325 -3.903 1.00 0.00 H new ATOM 807 N THR A 54 16.333 -6.597 -3.477 1.00 0.00 N ATOM 808 CA THR A 54 16.230 -6.149 -2.093 1.00 0.00 C ATOM 809 C THR A 54 14.779 -5.849 -1.729 1.00 0.00 C ATOM 810 O THR A 54 14.495 -5.307 -0.661 1.00 0.00 O ATOM 811 CB THR A 54 17.090 -4.904 -1.870 1.00 0.00 C ATOM 812 OG1 THR A 54 16.638 -3.832 -2.679 1.00 0.00 O ATOM 813 CG2 THR A 54 18.556 -5.125 -2.175 1.00 0.00 C ATOM 0 H THR A 54 15.759 -6.068 -4.134 1.00 0.00 H new ATOM 0 HA THR A 54 16.593 -6.951 -1.450 1.00 0.00 H new ATOM 0 HB THR A 54 16.989 -4.669 -0.810 1.00 0.00 H new ATOM 0 HG1 THR A 54 17.199 -3.044 -2.521 1.00 0.00 H new ATOM 0 HG21 THR A 54 19.108 -4.202 -1.996 1.00 0.00 H new ATOM 0 HG22 THR A 54 18.947 -5.913 -1.531 1.00 0.00 H new ATOM 0 HG23 THR A 54 18.670 -5.419 -3.218 1.00 0.00 H new ATOM 821 N SER A 55 13.864 -6.204 -2.627 1.00 0.00 N ATOM 822 CA SER A 55 12.440 -5.972 -2.404 1.00 0.00 C ATOM 823 C SER A 55 12.142 -4.478 -2.336 1.00 0.00 C ATOM 824 O SER A 55 12.801 -3.736 -1.608 1.00 0.00 O ATOM 825 CB SER A 55 11.985 -6.654 -1.113 1.00 0.00 C ATOM 826 OG SER A 55 10.570 -6.701 -1.031 1.00 0.00 O ATOM 0 H SER A 55 14.083 -6.653 -3.516 1.00 0.00 H new ATOM 0 HA SER A 55 11.890 -6.399 -3.243 1.00 0.00 H new ATOM 0 HB2 SER A 55 12.388 -7.666 -1.071 1.00 0.00 H new ATOM 0 HB3 SER A 55 12.384 -6.116 -0.254 1.00 0.00 H new ATOM 0 HG SER A 55 10.305 -7.143 -0.198 1.00 0.00 H new ATOM 832 N GLU A 56 11.146 -4.040 -3.099 1.00 0.00 N ATOM 833 CA GLU A 56 10.767 -2.633 -3.122 1.00 0.00 C ATOM 834 C GLU A 56 10.489 -2.121 -1.710 1.00 0.00 C ATOM 835 O GLU A 56 11.300 -1.397 -1.132 1.00 0.00 O ATOM 836 CB GLU A 56 9.540 -2.428 -4.011 1.00 0.00 C ATOM 837 CG GLU A 56 9.882 -1.930 -5.406 1.00 0.00 C ATOM 838 CD GLU A 56 10.871 -2.833 -6.120 1.00 0.00 C ATOM 839 OE1 GLU A 56 11.719 -3.445 -5.435 1.00 0.00 O ATOM 840 OE2 GLU A 56 10.799 -2.929 -7.363 1.00 0.00 O ATOM 0 H GLU A 56 10.588 -4.638 -3.708 1.00 0.00 H new ATOM 0 HA GLU A 56 11.599 -2.063 -3.534 1.00 0.00 H new ATOM 0 HB2 GLU A 56 8.998 -3.370 -4.092 1.00 0.00 H new ATOM 0 HB3 GLU A 56 8.869 -1.714 -3.533 1.00 0.00 H new ATOM 0 HG2 GLU A 56 8.969 -1.858 -5.997 1.00 0.00 H new ATOM 0 HG3 GLU A 56 10.297 -0.924 -5.338 1.00 0.00 H new ATOM 847 N SER A 57 9.340 -2.502 -1.157 1.00 0.00 N ATOM 848 CA SER A 57 8.967 -2.078 0.190 1.00 0.00 C ATOM 849 C SER A 57 7.712 -2.804 0.667 1.00 0.00 C ATOM 850 O SER A 57 7.185 -3.677 -0.023 1.00 0.00 O ATOM 851 CB SER A 57 8.736 -0.567 0.227 1.00 0.00 C ATOM 852 OG SER A 57 7.740 -0.181 -0.704 1.00 0.00 O ATOM 0 H SER A 57 8.654 -3.100 -1.618 1.00 0.00 H new ATOM 0 HA SER A 57 9.788 -2.332 0.860 1.00 0.00 H new ATOM 0 HB2 SER A 57 8.436 -0.266 1.231 1.00 0.00 H new ATOM 0 HB3 SER A 57 9.668 -0.048 0.004 1.00 0.00 H new ATOM 0 HG SER A 57 7.609 0.789 -0.660 1.00 0.00 H new ATOM 858 N THR A 58 7.238 -2.435 1.854 1.00 0.00 N ATOM 859 CA THR A 58 6.044 -3.047 2.427 1.00 0.00 C ATOM 860 C THR A 58 4.875 -2.968 1.449 1.00 0.00 C ATOM 861 O THR A 58 5.043 -2.557 0.301 1.00 0.00 O ATOM 862 CB THR A 58 5.673 -2.356 3.739 1.00 0.00 C ATOM 863 OG1 THR A 58 5.499 -0.964 3.540 1.00 0.00 O ATOM 864 CG2 THR A 58 6.711 -2.535 4.825 1.00 0.00 C ATOM 0 H THR A 58 7.663 -1.715 2.438 1.00 0.00 H new ATOM 0 HA THR A 58 6.260 -4.097 2.626 1.00 0.00 H new ATOM 0 HB THR A 58 4.746 -2.830 4.062 1.00 0.00 H new ATOM 0 HG1 THR A 58 5.578 -0.498 4.399 1.00 0.00 H new ATOM 0 HG21 THR A 58 6.385 -2.020 5.728 1.00 0.00 H new ATOM 0 HG22 THR A 58 6.836 -3.597 5.038 1.00 0.00 H new ATOM 0 HG23 THR A 58 7.661 -2.118 4.492 1.00 0.00 H new ATOM 872 N CYS A 59 3.691 -3.366 1.908 1.00 0.00 N ATOM 873 CA CYS A 59 2.501 -3.339 1.064 1.00 0.00 C ATOM 874 C CYS A 59 1.233 -3.172 1.897 1.00 0.00 C ATOM 875 O CYS A 59 0.998 -3.917 2.848 1.00 0.00 O ATOM 876 CB CYS A 59 2.416 -4.617 0.229 1.00 0.00 C ATOM 877 SG CYS A 59 3.179 -6.070 1.019 1.00 0.00 S ATOM 0 H CYS A 59 3.531 -3.709 2.855 1.00 0.00 H new ATOM 0 HA CYS A 59 2.583 -2.480 0.398 1.00 0.00 H new ATOM 0 HB2 CYS A 59 1.368 -4.836 0.024 1.00 0.00 H new ATOM 0 HB3 CYS A 59 2.899 -4.443 -0.733 1.00 0.00 H new ATOM 882 N CYS A 60 0.420 -2.186 1.526 1.00 0.00 N ATOM 883 CA CYS A 60 -0.826 -1.911 2.232 1.00 0.00 C ATOM 884 C CYS A 60 -1.963 -2.779 1.701 1.00 0.00 C ATOM 885 O CYS A 60 -2.592 -2.449 0.695 1.00 0.00 O ATOM 886 CB CYS A 60 -1.199 -0.432 2.096 1.00 0.00 C ATOM 887 SG CYS A 60 -0.143 0.696 3.063 1.00 0.00 S ATOM 0 H CYS A 60 0.603 -1.564 0.739 1.00 0.00 H new ATOM 0 HA CYS A 60 -0.672 -2.149 3.285 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -1.145 -0.150 1.044 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -2.235 -0.300 2.409 1.00 0.00 H new ATOM 892 N VAL A 61 -2.227 -3.884 2.388 1.00 0.00 N ATOM 893 CA VAL A 61 -3.296 -4.794 1.993 1.00 0.00 C ATOM 894 C VAL A 61 -4.436 -4.750 3.006 1.00 0.00 C ATOM 895 O VAL A 61 -4.591 -5.663 3.817 1.00 0.00 O ATOM 896 CB VAL A 61 -2.786 -6.243 1.863 1.00 0.00 C ATOM 897 CG1 VAL A 61 -1.893 -6.389 0.639 1.00 0.00 C ATOM 898 CG2 VAL A 61 -2.048 -6.663 3.124 1.00 0.00 C ATOM 0 H VAL A 61 -1.715 -4.172 3.222 1.00 0.00 H new ATOM 0 HA VAL A 61 -3.659 -4.465 1.019 1.00 0.00 H new ATOM 0 HB VAL A 61 -3.645 -6.901 1.736 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -1.543 -7.419 0.565 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -2.459 -6.132 -0.257 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -1.037 -5.721 0.731 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -1.695 -7.688 3.015 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -1.197 -6.001 3.285 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -2.722 -6.601 3.978 1.00 0.00 H new ATOM 908 N ALA A 62 -5.219 -3.671 2.955 1.00 0.00 N ATOM 909 CA ALA A 62 -6.345 -3.473 3.868 1.00 0.00 C ATOM 910 C ALA A 62 -6.287 -4.418 5.060 1.00 0.00 C ATOM 911 O ALA A 62 -6.581 -5.608 4.940 1.00 0.00 O ATOM 912 CB ALA A 62 -7.668 -3.635 3.139 1.00 0.00 C ATOM 0 H ALA A 62 -5.091 -2.914 2.283 1.00 0.00 H new ATOM 0 HA ALA A 62 -6.270 -2.454 4.247 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -8.490 -3.483 3.839 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -7.734 -2.900 2.337 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -7.731 -4.638 2.718 1.00 0.00 H new ATOM 918 N LYS A 63 -5.933 -3.873 6.216 1.00 0.00 N ATOM 919 CA LYS A 63 -5.864 -4.652 7.439 1.00 0.00 C ATOM 920 C LYS A 63 -7.201 -5.324 7.683 1.00 0.00 C ATOM 921 O LYS A 63 -7.272 -6.462 8.148 1.00 0.00 O ATOM 922 CB LYS A 63 -5.519 -3.747 8.616 1.00 0.00 C ATOM 923 CG LYS A 63 -5.257 -4.505 9.905 1.00 0.00 C ATOM 924 CD LYS A 63 -5.734 -3.722 11.117 1.00 0.00 C ATOM 925 CE LYS A 63 -4.568 -3.217 11.952 1.00 0.00 C ATOM 926 NZ LYS A 63 -5.022 -2.647 13.252 1.00 0.00 N ATOM 0 H LYS A 63 -5.689 -2.889 6.330 1.00 0.00 H new ATOM 0 HA LYS A 63 -5.088 -5.411 7.339 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -4.637 -3.157 8.365 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -6.337 -3.045 8.776 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -5.764 -5.469 9.871 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -4.190 -4.709 9.999 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -6.340 -2.877 10.790 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -6.374 -4.355 11.731 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -3.873 -4.036 12.137 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -4.023 -2.457 11.393 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -4.198 -2.314 13.792 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -5.666 -1.849 13.075 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -5.520 -3.379 13.797 1.00 0.00 H new ATOM 940 N SER A 64 -8.260 -4.604 7.343 1.00 0.00 N ATOM 941 CA SER A 64 -9.614 -5.109 7.494 1.00 0.00 C ATOM 942 C SER A 64 -10.480 -4.608 6.355 1.00 0.00 C ATOM 943 O SER A 64 -10.805 -3.426 6.279 1.00 0.00 O ATOM 944 CB SER A 64 -10.215 -4.686 8.833 1.00 0.00 C ATOM 945 OG SER A 64 -9.482 -5.225 9.919 1.00 0.00 O ATOM 0 H SER A 64 -8.205 -3.661 6.958 1.00 0.00 H new ATOM 0 HA SER A 64 -9.577 -6.198 7.470 1.00 0.00 H new ATOM 0 HB2 SER A 64 -10.225 -3.598 8.902 1.00 0.00 H new ATOM 0 HB3 SER A 64 -11.251 -5.019 8.890 1.00 0.00 H new ATOM 0 HG SER A 64 -9.888 -4.937 10.763 1.00 0.00 H new ATOM 951 N TYR A 65 -10.832 -5.515 5.463 1.00 0.00 N ATOM 952 CA TYR A 65 -11.643 -5.179 4.304 1.00 0.00 C ATOM 953 C TYR A 65 -13.118 -5.377 4.573 1.00 0.00 C ATOM 954 O TYR A 65 -13.511 -6.089 5.497 1.00 0.00 O ATOM 955 CB TYR A 65 -11.254 -6.064 3.123 1.00 0.00 C ATOM 956 CG TYR A 65 -11.019 -7.510 3.506 1.00 0.00 C ATOM 957 CD1 TYR A 65 -9.776 -7.941 3.951 1.00 0.00 C ATOM 958 CD2 TYR A 65 -12.044 -8.443 3.419 1.00 0.00 C ATOM 959 CE1 TYR A 65 -9.561 -9.262 4.297 1.00 0.00 C ATOM 960 CE2 TYR A 65 -11.838 -9.765 3.762 1.00 0.00 C ATOM 961 CZ TYR A 65 -10.596 -10.170 4.202 1.00 0.00 C ATOM 962 OH TYR A 65 -10.386 -11.486 4.545 1.00 0.00 O ATOM 0 H TYR A 65 -10.567 -6.498 5.519 1.00 0.00 H new ATOM 0 HA TYR A 65 -11.462 -4.128 4.079 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -12.041 -6.019 2.370 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -10.349 -5.666 2.663 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -8.964 -7.233 4.028 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -13.019 -8.129 3.077 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -8.588 -9.582 4.640 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -12.646 -10.478 3.686 1.00 0.00 H new ATOM 0 HH TYR A 65 -11.216 -11.993 4.422 1.00 0.00 H new ATOM 972 N ASN A 66 -13.926 -4.785 3.713 1.00 0.00 N ATOM 973 CA ASN A 66 -15.366 -4.936 3.797 1.00 0.00 C ATOM 974 C ASN A 66 -15.870 -5.190 2.402 1.00 0.00 C ATOM 975 O ASN A 66 -16.990 -4.848 2.025 1.00 0.00 O ATOM 976 CB ASN A 66 -16.022 -3.710 4.413 1.00 0.00 C ATOM 977 CG ASN A 66 -16.651 -4.006 5.760 1.00 0.00 C ATOM 978 OD1 ASN A 66 -15.953 -4.184 6.758 1.00 0.00 O ATOM 979 ND2 ASN A 66 -17.977 -4.064 5.793 1.00 0.00 N ATOM 0 H ASN A 66 -13.608 -4.193 2.946 1.00 0.00 H new ATOM 0 HA ASN A 66 -15.621 -5.771 4.450 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -15.277 -2.922 4.528 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -16.786 -3.330 3.734 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -18.457 -4.263 6.671 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -18.516 -3.910 4.941 1.00 0.00 H new ATOM 986 N ARG A 67 -14.969 -5.798 1.660 1.00 0.00 N ATOM 987 CA ARG A 67 -15.165 -6.162 0.271 1.00 0.00 C ATOM 988 C ARG A 67 -16.598 -5.948 -0.179 1.00 0.00 C ATOM 989 O ARG A 67 -17.548 -6.415 0.448 1.00 0.00 O ATOM 990 CB ARG A 67 -14.744 -7.611 0.060 1.00 0.00 C ATOM 991 CG ARG A 67 -13.857 -7.817 -1.154 1.00 0.00 C ATOM 992 CD ARG A 67 -14.141 -9.150 -1.826 1.00 0.00 C ATOM 993 NE ARG A 67 -12.917 -9.906 -2.073 1.00 0.00 N ATOM 994 CZ ARG A 67 -12.897 -11.200 -2.373 1.00 0.00 C ATOM 995 NH1 ARG A 67 -14.031 -11.878 -2.471 1.00 0.00 N ATOM 996 NH2 ARG A 67 -11.741 -11.815 -2.580 1.00 0.00 N ATOM 0 H ARG A 67 -14.051 -6.061 2.017 1.00 0.00 H new ATOM 0 HA ARG A 67 -14.542 -5.509 -0.341 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -14.217 -7.960 0.948 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -15.636 -8.228 -0.044 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -14.017 -7.007 -1.866 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -12.810 -7.775 -0.853 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -14.810 -9.738 -1.198 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -14.658 -8.978 -2.770 1.00 0.00 H new ATOM 0 HE ARG A 67 -12.026 -9.413 -2.012 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -14.922 -11.407 -2.316 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -14.013 -12.871 -2.701 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -10.867 -11.295 -2.509 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -11.726 -12.809 -2.810 1.00 0.00 H new ATOM 1010 N VAL A 68 -16.727 -5.233 -1.282 1.00 0.00 N ATOM 1011 CA VAL A 68 -18.021 -4.924 -1.866 1.00 0.00 C ATOM 1012 C VAL A 68 -17.975 -5.127 -3.368 1.00 0.00 C ATOM 1013 O VAL A 68 -18.367 -4.249 -4.136 1.00 0.00 O ATOM 1014 CB VAL A 68 -18.426 -3.465 -1.586 1.00 0.00 C ATOM 1015 CG1 VAL A 68 -18.391 -3.152 -0.095 1.00 0.00 C ATOM 1016 CG2 VAL A 68 -17.515 -2.517 -2.354 1.00 0.00 C ATOM 0 H VAL A 68 -15.936 -4.849 -1.800 1.00 0.00 H new ATOM 0 HA VAL A 68 -18.753 -5.593 -1.413 1.00 0.00 H new ATOM 0 HB VAL A 68 -19.453 -3.326 -1.925 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -18.682 -2.114 0.066 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -19.084 -3.809 0.431 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -17.382 -3.309 0.286 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -17.808 -1.487 -2.151 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -16.483 -2.670 -2.039 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -17.602 -2.715 -3.422 1.00 0.00 H new ATOM 1026 N THR A 69 -17.470 -6.282 -3.780 1.00 0.00 N ATOM 1027 CA THR A 69 -17.341 -6.597 -5.195 1.00 0.00 C ATOM 1028 C THR A 69 -18.339 -5.815 -6.029 1.00 0.00 C ATOM 1029 O THR A 69 -19.552 -5.960 -5.873 1.00 0.00 O ATOM 1030 CB THR A 69 -17.516 -8.085 -5.462 1.00 0.00 C ATOM 1031 OG1 THR A 69 -16.545 -8.845 -4.762 1.00 0.00 O ATOM 1032 CG2 THR A 69 -17.395 -8.410 -6.935 1.00 0.00 C ATOM 0 H THR A 69 -17.143 -7.017 -3.153 1.00 0.00 H new ATOM 0 HA THR A 69 -16.331 -6.308 -5.485 1.00 0.00 H new ATOM 0 HB THR A 69 -18.517 -8.343 -5.116 1.00 0.00 H new ATOM 0 HG1 THR A 69 -16.679 -9.798 -4.948 1.00 0.00 H new ATOM 0 HG21 THR A 69 -17.526 -9.482 -7.083 1.00 0.00 H new ATOM 0 HG22 THR A 69 -18.162 -7.870 -7.491 1.00 0.00 H new ATOM 0 HG23 THR A 69 -16.410 -8.112 -7.294 1.00 0.00 H new ATOM 1040 N VAL A 70 -17.812 -4.985 -6.912 1.00 0.00 N ATOM 1041 CA VAL A 70 -18.645 -4.167 -7.780 1.00 0.00 C ATOM 1042 C VAL A 70 -18.306 -4.367 -9.243 1.00 0.00 C ATOM 1043 O VAL A 70 -17.621 -5.315 -9.617 1.00 0.00 O ATOM 1044 CB VAL A 70 -18.505 -2.670 -7.459 1.00 0.00 C ATOM 1045 CG1 VAL A 70 -19.807 -2.122 -6.902 1.00 0.00 C ATOM 1046 CG2 VAL A 70 -17.355 -2.428 -6.493 1.00 0.00 C ATOM 0 H VAL A 70 -16.809 -4.859 -7.048 1.00 0.00 H new ATOM 0 HA VAL A 70 -19.670 -4.490 -7.595 1.00 0.00 H new ATOM 0 HB VAL A 70 -18.280 -2.140 -8.385 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -19.690 -1.061 -6.680 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -20.601 -2.254 -7.637 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -20.066 -2.657 -5.988 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -17.276 -1.362 -6.281 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -17.539 -2.970 -5.565 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -16.425 -2.779 -6.940 1.00 0.00 H new ATOM 1056 N MET A 71 -18.817 -3.456 -10.057 1.00 0.00 N ATOM 1057 CA MET A 71 -18.607 -3.484 -11.497 1.00 0.00 C ATOM 1058 C MET A 71 -17.484 -4.440 -11.889 1.00 0.00 C ATOM 1059 O MET A 71 -16.386 -4.385 -11.334 1.00 0.00 O ATOM 1060 CB MET A 71 -18.298 -2.081 -12.019 1.00 0.00 C ATOM 1061 CG MET A 71 -17.120 -1.418 -11.326 1.00 0.00 C ATOM 1062 SD MET A 71 -16.527 0.037 -12.208 1.00 0.00 S ATOM 1063 CE MET A 71 -15.388 -0.713 -13.367 1.00 0.00 C ATOM 0 H MET A 71 -19.390 -2.675 -9.737 1.00 0.00 H new ATOM 0 HA MET A 71 -19.530 -3.845 -11.951 1.00 0.00 H new ATOM 0 HB2 MET A 71 -18.094 -2.137 -13.088 1.00 0.00 H new ATOM 0 HB3 MET A 71 -19.181 -1.454 -11.895 1.00 0.00 H new ATOM 0 HG2 MET A 71 -17.412 -1.132 -10.315 1.00 0.00 H new ATOM 0 HG3 MET A 71 -16.307 -2.138 -11.231 1.00 0.00 H new ATOM 0 HE1 MET A 71 -14.398 -0.274 -13.240 1.00 0.00 H new ATOM 0 HE2 MET A 71 -15.336 -1.786 -13.183 1.00 0.00 H new ATOM 0 HE3 MET A 71 -15.736 -0.536 -14.385 1.00 0.00 H new ATOM 1073 N GLY A 72 -17.766 -5.313 -12.851 1.00 0.00 N ATOM 1074 CA GLY A 72 -16.770 -6.265 -13.303 1.00 0.00 C ATOM 1075 C GLY A 72 -16.176 -7.068 -12.163 1.00 0.00 C ATOM 1076 O GLY A 72 -15.065 -7.588 -12.273 1.00 0.00 O ATOM 0 H GLY A 72 -18.667 -5.378 -13.325 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -17.223 -6.945 -14.025 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -15.973 -5.733 -13.823 1.00 0.00 H new ATOM 1080 N GLY A 73 -16.915 -7.169 -11.065 1.00 0.00 N ATOM 1081 CA GLY A 73 -16.434 -7.914 -9.918 1.00 0.00 C ATOM 1082 C GLY A 73 -15.325 -7.188 -9.182 1.00 0.00 C ATOM 1083 O GLY A 73 -14.453 -7.819 -8.584 1.00 0.00 O ATOM 0 H GLY A 73 -17.837 -6.749 -10.949 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -17.262 -8.097 -9.233 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -16.072 -8.888 -10.247 1.00 0.00 H new ATOM 1087 N PHE A 74 -15.357 -5.858 -9.224 1.00 0.00 N ATOM 1088 CA PHE A 74 -14.345 -5.048 -8.554 1.00 0.00 C ATOM 1089 C PHE A 74 -14.316 -5.341 -7.064 1.00 0.00 C ATOM 1090 O PHE A 74 -15.294 -5.108 -6.357 1.00 0.00 O ATOM 1091 CB PHE A 74 -14.605 -3.558 -8.775 1.00 0.00 C ATOM 1092 CG PHE A 74 -13.834 -2.974 -9.927 1.00 0.00 C ATOM 1093 CD1 PHE A 74 -13.764 -3.639 -11.140 1.00 0.00 C ATOM 1094 CD2 PHE A 74 -13.177 -1.760 -9.794 1.00 0.00 C ATOM 1095 CE1 PHE A 74 -13.052 -3.106 -12.199 1.00 0.00 C ATOM 1096 CE2 PHE A 74 -12.464 -1.222 -10.849 1.00 0.00 C ATOM 1097 CZ PHE A 74 -12.402 -1.896 -12.053 1.00 0.00 C ATOM 0 H PHE A 74 -16.072 -5.320 -9.714 1.00 0.00 H new ATOM 0 HA PHE A 74 -13.378 -5.308 -8.986 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -15.670 -3.406 -8.948 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -14.349 -3.015 -7.865 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -14.271 -4.585 -11.260 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -13.223 -1.229 -8.855 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -13.004 -3.635 -13.139 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -11.956 -0.276 -10.732 1.00 0.00 H new ATOM 0 HZ PHE A 74 -11.846 -1.478 -12.879 1.00 0.00 H new ATOM 1107 N LYS A 75 -13.187 -5.846 -6.593 1.00 0.00 N ATOM 1108 CA LYS A 75 -13.025 -6.172 -5.182 1.00 0.00 C ATOM 1109 C LYS A 75 -12.244 -5.086 -4.454 1.00 0.00 C ATOM 1110 O LYS A 75 -11.016 -5.029 -4.525 1.00 0.00 O ATOM 1111 CB LYS A 75 -12.321 -7.520 -5.025 1.00 0.00 C ATOM 1112 CG LYS A 75 -13.015 -8.655 -5.758 1.00 0.00 C ATOM 1113 CD LYS A 75 -12.641 -10.006 -5.175 1.00 0.00 C ATOM 1114 CE LYS A 75 -11.565 -10.693 -5.999 1.00 0.00 C ATOM 1115 NZ LYS A 75 -11.459 -12.142 -5.674 1.00 0.00 N ATOM 0 H LYS A 75 -12.367 -6.040 -7.167 1.00 0.00 H new ATOM 0 HA LYS A 75 -14.017 -6.235 -4.736 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -11.299 -7.432 -5.393 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -12.258 -7.767 -3.965 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -14.095 -8.520 -5.701 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -12.745 -8.626 -6.814 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -12.289 -9.876 -4.152 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -13.526 -10.641 -5.130 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -11.788 -10.574 -7.059 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -10.605 -10.209 -5.819 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -11.142 -12.664 -6.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -10.773 -12.276 -4.904 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -12.389 -12.500 -5.375 1.00 0.00 H new ATOM 1129 N VAL A 76 -12.973 -4.231 -3.752 1.00 0.00 N ATOM 1130 CA VAL A 76 -12.374 -3.139 -2.995 1.00 0.00 C ATOM 1131 C VAL A 76 -12.159 -3.545 -1.579 1.00 0.00 C ATOM 1132 O VAL A 76 -11.904 -2.708 -0.714 1.00 0.00 O ATOM 1133 CB VAL A 76 -13.302 -1.917 -2.980 1.00 0.00 C ATOM 1134 CG1 VAL A 76 -13.464 -1.362 -4.382 1.00 0.00 C ATOM 1135 CG2 VAL A 76 -14.638 -2.370 -2.417 1.00 0.00 C ATOM 0 H VAL A 76 -13.990 -4.273 -3.690 1.00 0.00 H new ATOM 0 HA VAL A 76 -11.427 -2.894 -3.475 1.00 0.00 H new ATOM 0 HB VAL A 76 -12.885 -1.120 -2.364 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -14.125 -0.496 -4.356 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -12.490 -1.064 -4.770 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -13.894 -2.127 -5.029 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -15.327 -1.526 -2.391 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -15.052 -3.156 -3.049 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -14.496 -2.754 -1.407 1.00 0.00 H new ATOM 1145 N GLU A 77 -12.299 -4.826 -1.348 1.00 0.00 N ATOM 1146 CA GLU A 77 -12.165 -5.354 0.000 1.00 0.00 C ATOM 1147 C GLU A 77 -12.528 -4.222 0.936 1.00 0.00 C ATOM 1148 O GLU A 77 -11.851 -3.961 1.926 1.00 0.00 O ATOM 1149 CB GLU A 77 -10.731 -5.826 0.242 1.00 0.00 C ATOM 1150 CG GLU A 77 -10.634 -7.232 0.795 1.00 0.00 C ATOM 1151 CD GLU A 77 -10.332 -8.263 -0.275 1.00 0.00 C ATOM 1152 OE1 GLU A 77 -10.368 -7.905 -1.472 1.00 0.00 O ATOM 1153 OE2 GLU A 77 -10.061 -9.428 0.083 1.00 0.00 O ATOM 0 H GLU A 77 -12.504 -5.523 -2.064 1.00 0.00 H new ATOM 0 HA GLU A 77 -12.814 -6.214 0.161 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -10.179 -5.776 -0.697 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -10.245 -5.139 0.935 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -9.854 -7.265 1.556 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -11.572 -7.490 1.287 1.00 0.00 H new ATOM 1160 N ASN A 78 -13.575 -3.504 0.527 1.00 0.00 N ATOM 1161 CA ASN A 78 -14.030 -2.310 1.211 1.00 0.00 C ATOM 1162 C ASN A 78 -13.181 -2.080 2.437 1.00 0.00 C ATOM 1163 O ASN A 78 -13.592 -2.321 3.570 1.00 0.00 O ATOM 1164 CB ASN A 78 -15.503 -2.337 1.559 1.00 0.00 C ATOM 1165 CG ASN A 78 -15.941 -0.933 1.885 1.00 0.00 C ATOM 1166 OD1 ASN A 78 -15.940 -0.059 1.022 1.00 0.00 O ATOM 1167 ND2 ASN A 78 -16.310 -0.711 3.126 1.00 0.00 N ATOM 0 H ASN A 78 -14.130 -3.743 -0.295 1.00 0.00 H new ATOM 0 HA ASN A 78 -13.913 -1.475 0.520 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -16.083 -2.731 0.724 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -15.680 -2.996 2.409 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -16.293 -1.471 3.807 1.00 0.00 H new ATOM 1172 N HIS A 79 -11.960 -1.667 2.166 1.00 0.00 N ATOM 1173 CA HIS A 79 -10.966 -1.451 3.189 1.00 0.00 C ATOM 1174 C HIS A 79 -11.461 -0.653 4.365 1.00 0.00 C ATOM 1175 O HIS A 79 -11.778 0.529 4.272 1.00 0.00 O ATOM 1176 CB HIS A 79 -9.740 -0.798 2.587 1.00 0.00 C ATOM 1177 CG HIS A 79 -9.198 -1.623 1.488 1.00 0.00 C ATOM 1178 ND1 HIS A 79 -8.154 -1.265 0.683 1.00 0.00 N ATOM 1179 CD2 HIS A 79 -9.619 -2.827 1.061 1.00 0.00 C ATOM 1180 CE1 HIS A 79 -7.975 -2.248 -0.210 1.00 0.00 C ATOM 1181 NE2 HIS A 79 -8.842 -3.227 -0.020 1.00 0.00 N ATOM 0 H HIS A 79 -11.630 -1.471 1.221 1.00 0.00 H new ATOM 0 HA HIS A 79 -10.714 -2.435 3.583 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -9.996 0.193 2.213 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -8.979 -0.662 3.356 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -10.432 -3.393 1.490 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -7.221 -2.241 -0.983 1.00 0.00 H new ATOM 0 HE2 HIS A 79 -8.924 -4.093 -0.553 1.00 0.00 H new ATOM 1189 N THR A 80 -11.469 -1.325 5.483 1.00 0.00 N ATOM 1190 CA THR A 80 -11.863 -0.723 6.738 1.00 0.00 C ATOM 1191 C THR A 80 -10.609 -0.329 7.492 1.00 0.00 C ATOM 1192 O THR A 80 -10.626 0.536 8.368 1.00 0.00 O ATOM 1193 CB THR A 80 -12.704 -1.697 7.545 1.00 0.00 C ATOM 1194 OG1 THR A 80 -11.886 -2.539 8.338 1.00 0.00 O ATOM 1195 CG2 THR A 80 -13.555 -2.574 6.664 1.00 0.00 C ATOM 0 H THR A 80 -11.203 -2.307 5.555 1.00 0.00 H new ATOM 0 HA THR A 80 -12.471 0.164 6.559 1.00 0.00 H new ATOM 0 HB THR A 80 -13.349 -1.088 8.178 1.00 0.00 H new ATOM 0 HG1 THR A 80 -11.145 -2.880 7.795 1.00 0.00 H new ATOM 0 HG21 THR A 80 -14.139 -3.254 7.284 1.00 0.00 H new ATOM 0 HG22 THR A 80 -14.228 -1.953 6.073 1.00 0.00 H new ATOM 0 HG23 THR A 80 -12.914 -3.150 5.997 1.00 0.00 H new ATOM 1203 N ALA A 81 -9.511 -0.971 7.108 1.00 0.00 N ATOM 1204 CA ALA A 81 -8.213 -0.704 7.698 1.00 0.00 C ATOM 1205 C ALA A 81 -7.120 -1.104 6.721 1.00 0.00 C ATOM 1206 O ALA A 81 -7.188 -2.172 6.118 1.00 0.00 O ATOM 1207 CB ALA A 81 -8.055 -1.451 9.014 1.00 0.00 C ATOM 0 H ALA A 81 -9.500 -1.687 6.382 1.00 0.00 H new ATOM 0 HA ALA A 81 -8.132 0.362 7.908 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -7.074 -1.236 9.439 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -8.830 -1.130 9.710 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -8.147 -2.523 8.837 1.00 0.00 H new ATOM 1213 N CYS A 82 -6.122 -0.247 6.553 1.00 0.00 N ATOM 1214 CA CYS A 82 -5.026 -0.534 5.635 1.00 0.00 C ATOM 1215 C CYS A 82 -3.687 -0.456 6.361 1.00 0.00 C ATOM 1216 O CYS A 82 -3.349 0.567 6.955 1.00 0.00 O ATOM 1217 CB CYS A 82 -5.043 0.435 4.447 1.00 0.00 C ATOM 1218 SG CYS A 82 -5.834 -0.232 2.942 1.00 0.00 S ATOM 0 H CYS A 82 -6.048 0.648 7.037 1.00 0.00 H new ATOM 0 HA CYS A 82 -5.159 -1.547 5.254 1.00 0.00 H new ATOM 0 HB2 CYS A 82 -5.564 1.345 4.744 1.00 0.00 H new ATOM 0 HB3 CYS A 82 -4.017 0.717 4.209 1.00 0.00 H new ATOM 1223 N HIS A 83 -2.932 -1.547 6.311 1.00 0.00 N ATOM 1224 CA HIS A 83 -1.629 -1.610 6.967 1.00 0.00 C ATOM 1225 C HIS A 83 -0.557 -2.103 6.000 1.00 0.00 C ATOM 1226 O HIS A 83 -0.713 -3.148 5.370 1.00 0.00 O ATOM 1227 CB HIS A 83 -1.690 -2.535 8.187 1.00 0.00 C ATOM 1228 CG HIS A 83 -1.844 -3.984 7.837 1.00 0.00 C ATOM 1229 ND1 HIS A 83 -1.150 -4.993 8.474 1.00 0.00 N ATOM 1230 CD2 HIS A 83 -2.617 -4.593 6.907 1.00 0.00 C ATOM 1231 CE1 HIS A 83 -1.490 -6.158 7.950 1.00 0.00 C ATOM 1232 NE2 HIS A 83 -2.378 -5.943 6.998 1.00 0.00 N ATOM 0 H HIS A 83 -3.199 -2.402 5.823 1.00 0.00 H new ATOM 0 HA HIS A 83 -1.368 -0.604 7.294 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -0.781 -2.407 8.775 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -2.524 -2.233 8.820 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -3.295 -4.108 6.221 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -1.106 -7.122 8.250 1.00 0.00 H new ATOM 0 HE2 HIS A 83 -2.816 -6.662 6.423 1.00 0.00 H new ATOM 1241 N CYS A 84 0.533 -1.348 5.890 1.00 0.00 N ATOM 1242 CA CYS A 84 1.626 -1.722 5.000 1.00 0.00 C ATOM 1243 C CYS A 84 2.420 -2.883 5.590 1.00 0.00 C ATOM 1244 O CYS A 84 3.022 -2.758 6.656 1.00 0.00 O ATOM 1245 CB CYS A 84 2.547 -0.527 4.743 1.00 0.00 C ATOM 1246 SG CYS A 84 2.924 0.465 6.225 1.00 0.00 S ATOM 0 H CYS A 84 0.682 -0.479 6.403 1.00 0.00 H new ATOM 0 HA CYS A 84 1.198 -2.039 4.049 1.00 0.00 H new ATOM 0 HB2 CYS A 84 3.482 -0.890 4.316 1.00 0.00 H new ATOM 0 HB3 CYS A 84 2.085 0.119 3.996 1.00 0.00 H new ATOM 1251 N SER A 85 2.408 -4.014 4.890 1.00 0.00 N ATOM 1252 CA SER A 85 3.118 -5.206 5.342 1.00 0.00 C ATOM 1253 C SER A 85 2.461 -6.463 4.781 1.00 0.00 C ATOM 1254 O SER A 85 1.641 -6.387 3.869 1.00 0.00 O ATOM 1255 CB SER A 85 3.139 -5.266 6.872 1.00 0.00 C ATOM 1256 OG SER A 85 4.323 -4.684 7.390 1.00 0.00 O ATOM 0 H SER A 85 1.913 -4.130 4.006 1.00 0.00 H new ATOM 0 HA SER A 85 4.144 -5.153 4.977 1.00 0.00 H new ATOM 0 HB2 SER A 85 2.269 -4.744 7.271 1.00 0.00 H new ATOM 0 HB3 SER A 85 3.067 -6.303 7.199 1.00 0.00 H new ATOM 0 HG SER A 85 4.211 -3.712 7.450 1.00 0.00 H new ATOM 1262 N THR A 86 2.826 -7.617 5.332 1.00 0.00 N ATOM 1263 CA THR A 86 2.270 -8.888 4.884 1.00 0.00 C ATOM 1264 C THR A 86 2.626 -9.153 3.422 1.00 0.00 C ATOM 1265 O THR A 86 3.703 -8.775 2.960 1.00 0.00 O ATOM 1266 CB THR A 86 0.750 -8.903 5.076 1.00 0.00 C ATOM 1267 OG1 THR A 86 0.112 -8.028 4.162 1.00 0.00 O ATOM 1268 CG2 THR A 86 0.319 -8.496 6.469 1.00 0.00 C ATOM 0 H THR A 86 3.504 -7.697 6.089 1.00 0.00 H new ATOM 0 HA THR A 86 2.706 -9.683 5.489 1.00 0.00 H new ATOM 0 HB THR A 86 0.453 -9.937 4.903 1.00 0.00 H new ATOM 0 HG1 THR A 86 0.789 -7.509 3.679 1.00 0.00 H new ATOM 0 HG21 THR A 86 -0.768 -8.528 6.537 1.00 0.00 H new ATOM 0 HG22 THR A 86 0.749 -9.183 7.198 1.00 0.00 H new ATOM 0 HG23 THR A 86 0.666 -7.484 6.676 1.00 0.00 H new ATOM 1276 N CYS A 87 1.723 -9.810 2.698 1.00 0.00 N ATOM 1277 CA CYS A 87 1.954 -10.129 1.292 1.00 0.00 C ATOM 1278 C CYS A 87 3.200 -10.994 1.138 1.00 0.00 C ATOM 1279 O CYS A 87 3.918 -10.897 0.144 1.00 0.00 O ATOM 1280 CB CYS A 87 2.104 -8.852 0.461 1.00 0.00 C ATOM 1281 SG CYS A 87 1.617 -7.327 1.331 1.00 0.00 S ATOM 0 H CYS A 87 0.826 -10.131 3.061 1.00 0.00 H new ATOM 0 HA CYS A 87 1.089 -10.683 0.927 1.00 0.00 H new ATOM 0 HB2 CYS A 87 3.143 -8.759 0.144 1.00 0.00 H new ATOM 0 HB3 CYS A 87 1.502 -8.948 -0.443 1.00 0.00 H new ATOM 1286 N TYR A 88 3.449 -11.839 2.133 1.00 0.00 N ATOM 1287 CA TYR A 88 4.607 -12.723 2.118 1.00 0.00 C ATOM 1288 C TYR A 88 4.332 -13.969 1.281 1.00 0.00 C ATOM 1289 O TYR A 88 3.194 -14.429 1.193 1.00 0.00 O ATOM 1290 CB TYR A 88 4.982 -13.126 3.545 1.00 0.00 C ATOM 1291 CG TYR A 88 5.807 -12.088 4.270 1.00 0.00 C ATOM 1292 CD1 TYR A 88 7.180 -12.011 4.081 1.00 0.00 C ATOM 1293 CD2 TYR A 88 5.213 -11.187 5.145 1.00 0.00 C ATOM 1294 CE1 TYR A 88 7.940 -11.066 4.743 1.00 0.00 C ATOM 1295 CE2 TYR A 88 5.966 -10.238 5.810 1.00 0.00 C ATOM 1296 CZ TYR A 88 7.328 -10.181 5.606 1.00 0.00 C ATOM 1297 OH TYR A 88 8.080 -9.238 6.267 1.00 0.00 O ATOM 0 H TYR A 88 2.862 -11.930 2.962 1.00 0.00 H new ATOM 0 HA TYR A 88 5.440 -12.183 1.668 1.00 0.00 H new ATOM 0 HB2 TYR A 88 4.070 -13.314 4.112 1.00 0.00 H new ATOM 0 HB3 TYR A 88 5.538 -14.063 3.515 1.00 0.00 H new ATOM 0 HD1 TYR A 88 7.662 -12.701 3.405 1.00 0.00 H new ATOM 0 HD2 TYR A 88 4.146 -11.229 5.308 1.00 0.00 H new ATOM 0 HE1 TYR A 88 9.008 -11.020 4.586 1.00 0.00 H new ATOM 0 HE2 TYR A 88 5.489 -9.544 6.487 1.00 0.00 H new ATOM 0 HH TYR A 88 7.496 -8.693 6.835 1.00 0.00 H new ATOM 1307 N TYR A 89 5.382 -14.509 0.670 1.00 0.00 N ATOM 1308 CA TYR A 89 5.256 -15.703 -0.160 1.00 0.00 C ATOM 1309 C TYR A 89 5.863 -16.916 0.538 1.00 0.00 C ATOM 1310 O TYR A 89 6.967 -17.346 0.206 1.00 0.00 O ATOM 1311 CB TYR A 89 5.941 -15.484 -1.510 1.00 0.00 C ATOM 1312 CG TYR A 89 5.119 -15.947 -2.694 1.00 0.00 C ATOM 1313 CD1 TYR A 89 4.305 -17.070 -2.606 1.00 0.00 C ATOM 1314 CD2 TYR A 89 5.160 -15.260 -3.900 1.00 0.00 C ATOM 1315 CE1 TYR A 89 3.556 -17.495 -3.688 1.00 0.00 C ATOM 1316 CE2 TYR A 89 4.413 -15.678 -4.986 1.00 0.00 C ATOM 1317 CZ TYR A 89 3.613 -16.796 -4.875 1.00 0.00 C ATOM 1318 OH TYR A 89 2.869 -17.215 -5.955 1.00 0.00 O ATOM 0 H TYR A 89 6.330 -14.139 0.734 1.00 0.00 H new ATOM 0 HA TYR A 89 4.195 -15.892 -0.324 1.00 0.00 H new ATOM 0 HB2 TYR A 89 6.163 -14.423 -1.626 1.00 0.00 H new ATOM 0 HB3 TYR A 89 6.895 -16.012 -1.513 1.00 0.00 H new ATOM 0 HD1 TYR A 89 4.257 -17.620 -1.678 1.00 0.00 H new ATOM 0 HD2 TYR A 89 5.786 -14.385 -3.991 1.00 0.00 H new ATOM 0 HE1 TYR A 89 2.929 -18.370 -3.604 1.00 0.00 H new ATOM 0 HE2 TYR A 89 4.456 -15.132 -5.917 1.00 0.00 H new ATOM 0 HH TYR A 89 3.023 -16.612 -6.712 1.00 0.00 H new ATOM 1328 N HIS A 90 5.135 -17.462 1.506 1.00 0.00 N ATOM 1329 CA HIS A 90 5.603 -18.626 2.251 1.00 0.00 C ATOM 1330 C HIS A 90 5.185 -19.919 1.555 1.00 0.00 C ATOM 1331 O HIS A 90 4.427 -19.895 0.586 1.00 0.00 O ATOM 1332 CB HIS A 90 5.050 -18.596 3.677 1.00 0.00 C ATOM 1333 CG HIS A 90 6.092 -18.811 4.731 1.00 0.00 C ATOM 1334 ND1 HIS A 90 7.024 -17.854 5.075 1.00 0.00 N ATOM 1335 CD2 HIS A 90 6.343 -19.879 5.524 1.00 0.00 C ATOM 1336 CE1 HIS A 90 7.803 -18.324 6.033 1.00 0.00 C ATOM 1337 NE2 HIS A 90 7.410 -19.551 6.323 1.00 0.00 N ATOM 0 H HIS A 90 4.219 -17.118 1.793 1.00 0.00 H new ATOM 0 HA HIS A 90 6.692 -18.592 2.290 1.00 0.00 H new ATOM 0 HB2 HIS A 90 4.565 -17.635 3.849 1.00 0.00 H new ATOM 0 HB3 HIS A 90 4.282 -19.363 3.776 1.00 0.00 H new ATOM 0 HD2 HIS A 90 5.804 -20.815 5.527 1.00 0.00 H new ATOM 0 HE1 HIS A 90 8.621 -17.795 6.499 1.00 0.00 H new ATOM 0 HE2 HIS A 90 7.831 -20.157 7.027 1.00 0.00 H new ATOM 1346 N LYS A 91 5.685 -21.046 2.056 1.00 0.00 N ATOM 1347 CA LYS A 91 5.364 -22.348 1.481 1.00 0.00 C ATOM 1348 C LYS A 91 6.054 -22.530 0.132 1.00 0.00 C ATOM 1349 O LYS A 91 7.136 -21.989 -0.096 1.00 0.00 O ATOM 1350 CB LYS A 91 3.850 -22.498 1.319 1.00 0.00 C ATOM 1351 CG LYS A 91 3.322 -23.856 1.754 1.00 0.00 C ATOM 1352 CD LYS A 91 1.854 -24.023 1.397 1.00 0.00 C ATOM 1353 CE LYS A 91 1.636 -25.205 0.466 1.00 0.00 C ATOM 1354 NZ LYS A 91 0.260 -25.214 -0.104 1.00 0.00 N ATOM 0 H LYS A 91 6.314 -21.083 2.858 1.00 0.00 H new ATOM 0 HA LYS A 91 5.726 -23.119 2.161 1.00 0.00 H new ATOM 0 HB2 LYS A 91 3.352 -21.721 1.900 1.00 0.00 H new ATOM 0 HB3 LYS A 91 3.587 -22.333 0.274 1.00 0.00 H new ATOM 0 HG2 LYS A 91 3.905 -24.644 1.278 1.00 0.00 H new ATOM 0 HG3 LYS A 91 3.451 -23.970 2.830 1.00 0.00 H new ATOM 0 HD2 LYS A 91 1.271 -24.164 2.307 1.00 0.00 H new ATOM 0 HD3 LYS A 91 1.488 -23.113 0.922 1.00 0.00 H new ATOM 0 HE2 LYS A 91 2.365 -25.169 -0.344 1.00 0.00 H new ATOM 0 HE3 LYS A 91 1.810 -26.133 1.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 0.150 -26.035 -0.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -0.435 -25.274 0.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 0.102 -24.340 -0.645 1.00 0.00 H new ATOM 1368 N SER A 92 5.423 -23.294 -0.758 1.00 0.00 N ATOM 1369 CA SER A 92 5.977 -23.546 -2.085 1.00 0.00 C ATOM 1370 C SER A 92 6.851 -24.795 -2.083 1.00 0.00 C ATOM 1371 O SER A 92 7.329 -25.183 -3.171 1.00 0.00 O ATOM 1372 CB SER A 92 6.788 -22.340 -2.563 1.00 0.00 C ATOM 1373 OG SER A 92 6.606 -22.119 -3.951 1.00 0.00 O ATOM 1374 OXT SER A 92 7.054 -25.375 -0.996 1.00 0.00 O ATOM 0 H SER A 92 4.527 -23.749 -0.583 1.00 0.00 H new ATOM 0 HA SER A 92 5.146 -23.709 -2.771 1.00 0.00 H new ATOM 0 HB2 SER A 92 6.486 -21.452 -2.008 1.00 0.00 H new ATOM 0 HB3 SER A 92 7.845 -22.503 -2.353 1.00 0.00 H new ATOM 0 HG SER A 92 7.134 -21.342 -4.230 1.00 0.00 H new TER 1380 SER A 92 HETATM 1381 C1 NAG A1052 21.348 -9.568 -1.868 1.00 0.00 C HETATM 1382 C2 NAG A1052 22.271 -10.586 -1.207 1.00 0.00 C HETATM 1383 C3 NAG A1052 21.986 -10.665 0.284 1.00 0.00 C HETATM 1384 C4 NAG A1052 22.032 -9.281 0.903 1.00 0.00 C HETATM 1385 C5 NAG A1052 21.122 -8.324 0.146 1.00 0.00 C HETATM 1386 C6 NAG A1052 21.217 -6.903 0.665 1.00 0.00 C HETATM 1387 C7 NAG A1052 22.827 -12.922 -1.473 1.00 0.00 C HETATM 1388 C8 NAG A1052 22.541 -14.253 -2.150 1.00 0.00 C HETATM 1389 N2 NAG A1052 22.061 -11.889 -1.811 1.00 0.00 N HETATM 1390 O3 NAG A1052 22.961 -11.486 0.908 1.00 0.00 O HETATM 1391 O4 NAG A1052 21.605 -9.359 2.255 1.00 0.00 O HETATM 1392 O5 NAG A1052 21.470 -8.283 -1.248 1.00 0.00 O HETATM 1393 O6 NAG A1052 22.549 -6.416 0.599 1.00 0.00 O HETATM 1394 O7 NAG A1052 23.744 -12.837 -0.657 1.00 0.00 O HETATM 0 HO6 NAG A1052 22.579 -5.497 0.939 1.00 0.00 H new HETATM 0 HO4 NAG A1052 21.925 -8.573 2.745 1.00 0.00 H new HETATM 0 HO3 NAG A1052 23.562 -11.856 0.227 1.00 0.00 H new HETATM 0 HN2 NAG A1052 21.320 -12.013 -2.500 1.00 0.00 H new HETATM 0 H83 NAG A1052 21.520 -14.563 -1.926 1.00 0.00 H new HETATM 0 H82 NAG A1052 22.659 -14.146 -3.228 1.00 0.00 H new HETATM 0 H81 NAG A1052 23.238 -15.006 -1.782 1.00 0.00 H new HETATM 0 H62 NAG A1052 20.562 -6.256 0.081 1.00 0.00 H new HETATM 0 H61 NAG A1052 20.865 -6.866 1.696 1.00 0.00 H new HETATM 0 H5 NAG A1052 20.110 -8.702 0.292 1.00 0.00 H new HETATM 0 H4 NAG A1052 23.055 -8.908 0.852 1.00 0.00 H new HETATM 0 H3 NAG A1052 20.992 -11.089 0.430 1.00 0.00 H new HETATM 0 H2 NAG A1052 23.306 -10.275 -1.352 1.00 0.00 H new HETATM 1404 C1 NAG A1078 -16.615 0.630 3.556 1.00 0.00 C HETATM 1405 C2 NAG A1078 -18.091 0.735 3.909 1.00 0.00 C HETATM 1406 C3 NAG A1078 -18.412 2.132 4.412 1.00 0.00 C HETATM 1407 C4 NAG A1078 -17.476 2.510 5.546 1.00 0.00 C HETATM 1408 C5 NAG A1078 -16.023 2.309 5.130 1.00 0.00 C HETATM 1409 C6 NAG A1078 -15.050 2.559 6.266 1.00 0.00 C HETATM 1410 C7 NAG A1078 -19.723 -0.587 2.726 1.00 0.00 C HETATM 1411 C8 NAG A1078 -20.514 -0.840 1.451 1.00 0.00 C HETATM 1412 N2 NAG A1078 -18.888 0.448 2.732 1.00 0.00 N HETATM 1413 O3 NAG A1078 -19.751 2.165 4.881 1.00 0.00 O HETATM 1414 O4 NAG A1078 -17.680 3.874 5.885 1.00 0.00 O HETATM 1415 O5 NAG A1078 -15.799 0.964 4.685 1.00 0.00 O HETATM 1416 O6 NAG A1078 -15.317 1.712 7.373 1.00 0.00 O HETATM 1417 O7 NAG A1078 -19.873 -1.328 3.697 1.00 0.00 O HETATM 0 HO6 NAG A1078 -15.698 0.867 7.054 1.00 0.00 H new HETATM 0 HO4 NAG A1078 -17.339 4.041 6.788 1.00 0.00 H new HETATM 0 HO3 NAG A1078 -19.961 3.065 5.208 1.00 0.00 H new HETATM 0 HN2 NAG A1078 -18.808 1.042 1.906 1.00 0.00 H new HETATM 0 H83 NAG A1078 -21.131 0.030 1.227 1.00 0.00 H new HETATM 0 H82 NAG A1078 -19.825 -1.019 0.625 1.00 0.00 H new HETATM 0 H81 NAG A1078 -21.153 -1.713 1.586 1.00 0.00 H new HETATM 0 H62 NAG A1078 -14.031 2.394 5.917 1.00 0.00 H new HETATM 0 H61 NAG A1078 -15.114 3.601 6.579 1.00 0.00 H new HETATM 0 H5 NAG A1078 -15.849 3.029 4.331 1.00 0.00 H new HETATM 0 H4 NAG A1078 -17.688 1.873 6.405 1.00 0.00 H new HETATM 0 H3 NAG A1078 -18.285 2.841 3.594 1.00 0.00 H new HETATM 0 H2 NAG A1078 -18.322 0.015 4.695 1.00 0.00 H new